Datasets:

UoLiverpool
/

Alex_MP_20_M_LED

License:

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Split (1)

train

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The dataset generation failed because of a cast error

Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 21 new columns ({'CNdiv_Nat', 'entropy_gaus_posi', 'leaf_av', 'chemical_system', 'n_elements', 'CNdiv_Nel', 'target_energy', 'CH', 'material_id', 'Unnamed: 0', 'Unnamed: 0.1', 'entropy_poly', 'leaf_sum', 'n_atoms', 'CNdiv', 'reduced_formula', 'entropy_posi', 'cif', 'leafs_one', 'composition', 'entropy_sum'}) and 1 missing columns ({"compactness was presented as 'target_energy'"}).

This happened while the csv dataset builder was generating data using

zip://alex_entropy_159/test.csv::/tmp/hf-datasets-cache/medium/datasets/30042805776741-config-parquet-and-info-UoLiverpool-Alex_MP_20_M_-9bdc083d/hub/datasets--UoLiverpool--Alex_MP_20_M_LED/snapshots/bbec985a7d632d2a8d8c8663c992c1783b90dbce/alex_mp_20_MLED.zip

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1871, in _prepare_split_single
                  writer.write_table(table)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 643, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2293, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2241, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              Unnamed: 0.1: int64
              Unnamed: 0: int64
              material_id: string
              reduced_formula: string
              chemical_system: string
              n_atoms: int64
              cif: string
              CH: double
              n_elements: int64
              composition: string
              leaf_av: string
              CNdiv: int64
              CNdiv_Nat: double
              CNdiv_Nel: double
              target_energy: double
              leaf_sum: double
              leafs_one: string
              entropy_posi: double
              entropy_poly: double
              entropy_gaus_posi: double
              entropy_sum: double
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 2773
              to
              {"compactness was presented as 'target_energy'": Value(dtype='null', id=None)}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1436, in compute_config_parquet_and_info_response
                  parquet_operations = convert_to_parquet(builder)
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1053, in convert_to_parquet
                  builder.download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 925, in download_and_prepare
                  self._download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1001, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1742, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1873, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 21 new columns ({'CNdiv_Nat', 'entropy_gaus_posi', 'leaf_av', 'chemical_system', 'n_elements', 'CNdiv_Nel', 'target_energy', 'CH', 'material_id', 'Unnamed: 0', 'Unnamed: 0.1', 'entropy_poly', 'leaf_sum', 'n_atoms', 'CNdiv', 'reduced_formula', 'entropy_posi', 'cif', 'leafs_one', 'composition', 'entropy_sum'}) and 1 missing columns ({"compactness was presented as 'target_energy'"}).
              
              This happened while the csv dataset builder was generating data using
              
              zip://alex_entropy_159/test.csv::/tmp/hf-datasets-cache/medium/datasets/30042805776741-config-parquet-and-info-UoLiverpool-Alex_MP_20_M_-9bdc083d/hub/datasets--UoLiverpool--Alex_MP_20_M_LED/snapshots/bbec985a7d632d2a8d8c8663c992c1783b90dbce/alex_mp_20_MLED.zip
              
              Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)

Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.

Unnamed: 0.1 int64	Unnamed: 0 int64	material_id string	reduced_formula string	chemical_system string	n_atoms int64	cif string	CH float64	n_elements int64	composition string	leaf_av string	CNdiv int64	CNdiv_Nat float64	CNdiv_Nel float64	target_energy float64	leaf_sum float64	leafs_one string	entropy_posi float64	entropy_poly float64	entropy_gaus_posi float64	entropy_sum float64
132,225	132,225	alex<agm003522938>	Re2AgO8	Ag-O-Re	11	# generated using pymatgen data_Re2AgO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42616854 _cell_length_b 6.31891954 _cell_length_c 6.31891954 _cell_angle_alpha 85.60481591 _cell_angle_beta 83.63359222 _cell_angle_gamma 83.63359222 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	69.002359	3	Re2 Ag1 O8	[0.21918181818181823, 0.24340909090909094, 0.1908636363636364, 0.13295454545454544, 0.09559090909090907, 0.10472727272727268, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.019045454545454546, 0.17449999999999996, 0.003181818181818182, 0.0445, 0.04631818181818177, 0.10031818181818183, 0.09140909...	2	0.181818	0.666667	0.21	1	2.0 4.0 0.0 2.0 0.0 1.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0...	6.698668	2.186705	6.486246	8.672951
26,966	26,966	alex<agm002231831>	Cs3FeO4	Cs-Fe-O	8	# generated using pymatgen data_Cs3FeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40966738 _cell_length_b 6.40966738 _cell_length_c 6.80110117 _cell_angle_alpha 118.11369808 _cell_angle_beta 118.11369808 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	53.126141	3	Cs3 Fe1 O4	[0.1845, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.10837499999999999, 0.37012500000000004, 0.06209375, 0.15862499999999996, 0.167375, 0.068, 0.085, 0.0815, 0.0835, 0.07100000000000001, 0.068, 0.095, 0.07, 0.0005, 0.0005, 0.036375000000000005, 0.073375, 0.0495, 0.029875, 0.0585, 0.0495, 0.0005, 0...	2	0.25	0.666667	1.13	1	4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	7.054401	1.405639	6.704409	8.110049
70,956	70,956	alex<agm002226643>	ZrNi5	Ni-Zr	6	# generated using pymatgen data_ZrNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94341805 _cell_length_b 4.74203384 _cell_length_c 4.74203384 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	32.308145	2	Zr1 Ni5	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.2833333333333333, 0.04629166666666667, 0.034125, 0.0005, 0.0005, 0.08216666666666667, 0.115, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.71583333333333...	3	0.5	1.5	0.87	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 ...	6.802123	0.650023	6.490016	7.140039
233,117	233,117	alex<agm001230874>	TbY2Er	Er-Tb-Y	4	# generated using pymatgen data_TbY2Er _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03884437 _cell_length_b 5.03884437 _cell_length_c 5.04601383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	30.220848	3	Tb1 Y2 Er1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9995, 0.0005, 0.1905, 0.5735000000000001]	2	0.5	0.666667	0.73	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 ...	6.572578	0	6.557842	6.557842
47,437	47,437	alex<agm004939679>	Rb2ScTlI6	I-Rb-Sc-Tl	10	# generated using pymatgen data_Rb2ScTlI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76731033 _cell_length_b 8.76731033 _cell_length_c 8.76731033 _cell_angle_alpha 60.33155023 _cell_angle_beta 60.33155023 _cell_angle_gamma 60.33155023 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	12.064518	4	Rb2 Sc1 Tl1 I6	[0.09769999999999998, 0.0005000000000000001, 0.0008, 0.035300000000000005, 0.5021000000000001, 0.19820000000000002, 0.1407, 0.17999999999999997, 0.12290000000000001, 0.20892499999999997, 0.2666, 0.209825, 0.2426, 0.23299999999999996, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.102899999999999...	7	0.7	1.75	0.47	1	0.0 0.0 0.0 0.0 6.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	7.077199	1.570951	6.745131	8.316082
365,506	365,506	alex<agm004530602>	La2MgIn3Ag4	Ag-In-La-Mg	10	# generated using pymatgen data_La2MgIn3Ag4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51256773 _cell_length_b 4.51256773 _cell_length_c 12.25341284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	74.958702	4	La2 Mg1 In3 Ag4	[0.01, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.04510000000000001, 0.38965, 0.00745, 0.09724999999999998, 0.10149999999999999, 0.1163, 0.048900000000000006, 0.0331000000000000...	3	0.3	0.75	0.77	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.988288	1.521928	6.653105	8.175033
587,829	587,829	alex<agm003591759>	Sr(SiNi)4	Ni-Si-Sr	18	# generated using pymatgen data_Sr(SiNi)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69144333 _cell_length_b 5.69144333 _cell_length_c 7.90608698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	46.762629	3	Sr2 Si8 Ni8	[0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.002583333333333334, 0.002805555555555556, 0.0005000000000000002, 0.00438888888888889, 0.0046944444444444455, 0...	5	0.277778	1.666667	0.76	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 8.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0...	6.670545	1.392147	6.428034	7.820182
478,430	478,430	alex<agm004841285>	La2PrScP4	La-P-Pr-Sc	8	# generated using pymatgen data_La2PrScP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15000935 _cell_length_b 7.15784515 _cell_length_c 7.16101878 _cell_angle_alpha 109.40020840 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	65.091791	4	La2 Pr1 Sc1 P4	[0.01025, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.158, 0.043000000000000003, 0.2285, 0.20275, 0.1635, 0.0005, 0.0005, 0.0005, 0.192, 0.9349999999999999, 0.448, 0.10924999999999999, 0.209, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0....	5	0.625	1.25	0.61	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.974143	0.811278	6.756922	7.5682
338,073	338,073	alex<agm003657770>	Sr4BiI5	Bi-I-Sr	10	# generated using pymatgen data_Sr4BiI5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85034821 _cell_length_b 9.55178739 _cell_length_c 10.74585673 _cell_angle_alpha 104.52475603 _cell_angle_beta 103.04313685 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0	3	Sr4 Bi1 I5	[0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.005050000000000001, 0.035300000000000005, 0.09809999999999999, 0.2177, 0.067, 0.29125, 0.22000000000000003, 0.1814, 0.0005000000000000001, 0.0005000000000000001, 0.000500000000000...	6	0.6	2	0.45	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0...	7.107503	1.760964	6.69455	8.455514
229,222	229,222	alex<agm003057637>	RbBrCl3	Br-Cl-Rb	20	# generated using pymatgen data_RbBrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77896969 _cell_length_b 9.97514904 _cell_length_c 11.15322524 _cell_angle_alpha 113.24932484 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	27.621124	3	Rb4 Br4 Cl12	[0.18165, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.045700000000000005, 0.3375000000000001, 0.0733, 0.12445000000000003, 0.3399, 0.15010000000000004, 0.11390000000000003, 0.15650000000000008, 0.21469999999999997, 0.16790000000000002, 0.1927, 0.1929, 0.2660999999999999, 0.1866500000000001, 0...	5	0.25	1.666667	0.37	1	0.0 0.0 0.0 0.0 0.0 8.0 0.0 4.0 0.0 0.0 4.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 0...	6.568377	1.921928	6.304864	8.226793
575,434	575,434	alex<agm002201842>	SrCoC2	C-Co-Sr	4	# generated using pymatgen data_SrCoC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71942886 _cell_length_b 3.71942886 _cell_length_c 4.24714013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.82394530 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	28.228918	3	Sr1 Co1 C2	[0.14250000000000002, 0.03925, 0.20199999999999996, 0.21874999999999994, 0.009687500000000002, 0.0017500000000000003, 0.018375000000000002, 0.0005, 0.0375, 0.04, 0.0745, 0.0221875, 0.04125, 0.0395, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.066, 0.095, 0.0017500000000000003, 0.10275000000000001, 0.0005, 0.0005, ...	2	0.5	0.666667	0.82	1	2.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 ...	6.893184	1.5	6.500395	8.000395
528,129	528,129	alex<agm005132633>	Sc2NbSi2Ru5	Nb-Ru-Sc-Si	20	# generated using pymatgen data_Sc2NbSi2Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21857060 _cell_length_b 9.84062347 _cell_length_c 9.84062347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	0	4	Sc4 Nb2 Si4 Ru10	[0.007850000000000001, 0.37770000000000004, 0.1437, 0.0176, 0.0005000000000000002, 0.0005000000000000002, 0.0079, 0.0005000000000000002, 0.0153, 0.37670000000000003, 0.09290000000000001, 0.39570000000000005, 0.281, 0.15580000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0121000000000...	5	0.25	1.25	0.67	1	0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0...	7.043916	2.121928	6.582871	8.704799
490,518	490,518	alex<agm004707065>	RbB4(PbO4)3	B-O-Pb-Rb	20	# generated using pymatgen data_RbB4(PbO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64266747 _cell_length_b 6.64266747 _cell_length_c 6.64266747 _cell_angle_alpha 101.34128600 _cell_angle_beta 101.34128600 _cell_angle_gamma 101.34128600 _symmetry_Int_Tables_number 1 _chemical_formula_struc...	84.565061	4	Rb1 B4 Pb3 O12	[0.23135000000000003, 0.1184000000000001, 0.160475, 0.242, 0.19399999999999998, 0.03215, 0.19760000000000003, 0.07965, 0.018000000000000002, 0.03162499999999999, 0.04039999999999999, 0.04789999999999999, 0.0371, 0.005, 0.0665, 0.06871249999999998, 0.06334999999999999, 0.11479999999999999, 0.16635000000000005, 0.1150625...	2	0.1	0.5	0.54	1	5.0 0.0 3.0 0.0 6.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 20.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0....	7.00049	2.328213	6.50406	8.832273
335,309	335,309	alex<agm003000165>	Na2P2Pt	Na-P-Pt	10	# generated using pymatgen data_Na2P2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81145605 _cell_length_b 6.11230260 _cell_length_c 6.11230260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	3	Na4 P4 Pt2	[0.0225, 0.08089999999999997, 0.3481000000000001, 0.32570000000000016, 0.011600000000000003, 0.0021000000000000003, 0.33730000000000004, 0.1541, 0.0337, 0.2003, 0.013900000000000001, 0.2003, 0.1337, 0.10029999999999999, 0.1121, 0.061299999999999986, 0.07329999999999999, 0.0005000000000000001, 0.0005000000000000001, 0.0...	5	0.5	1.666667	0.75	1	0.0 0.0 4.0 0.0 0.0 0.0 4.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0...	6.634526	1.521928	6.435567	7.957495
621,466	621,466	alex<agm002702605>	Hf2MnZn	Hf-Mn-Zn	4	# generated using pymatgen data_Hf2MnZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57631260 _cell_length_b 4.57631260 _cell_length_c 4.57631260 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	78.13767	3	Hf2 Mn1 Zn1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9995, 0.4335, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005]	2	0.5	0.666667	0.78	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.765396	0	6.697165	6.697165
536,053	536,053	alex<agm001623313>	MgCuHPd2	Cu-H-Mg-Pd	5	# generated using pymatgen data_MgCuHPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96439115 _cell_length_b 3.96439115 _cell_length_c 4.01038760 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	77.37911	4	Mg1 Cu1 H1 Pd2	[0.0005, 0.0005, 0.0005, 0.0005, 0.07010000000000001, 0.5999000000000001, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.040100000000000004, 0.19889999999999997, 0.0997, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.1...	1	0.2	0.25	0.75	1	0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	7.011001	1.370951	6.570018	7.940968
225,369	225,369	alex<agm005009700>	NaLi2HgBi	Bi-Hg-Li-Na	10	# generated using pymatgen data_NaLi2HgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86472889 _cell_length_b 6.50331812 _cell_length_c 8.79007660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.96369310 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	61.722946	4	Na2 Li4 Hg2 Bi2	[0.015200000000000002, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.023700000000000002, 0.2003, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.000500000000...	6	0.6	1.5	0.63	1	0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 4.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0....	6.902595	1.921928	6.387437	8.309365
57,917	57,917	alex<agm002088774>	InPb	In-Pb	2	# generated using pymatgen data_InPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45439030 _cell_length_b 3.47840238 _cell_length_c 6.03504668 _cell_angle_alpha 88.86509390 _cell_angle_beta 73.70822536 _cell_angle_gamma 60.29868081 _symmetry_Int_Tables_number 1 _chemical_formula_structural In...	33.1247	2	In1 Pb1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9815, 0.014249999999999999, 0.1875, 0.563500000000000...	2	1	1	0.67	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.586728	0	6.578918	6.578918
279,873	279,873	alex<agm004647136>	Nd6AgIr2I3	Ag-I-Ir-Nd	12	# generated using pymatgen data_Nd6AgIr2I3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42017207 _cell_length_b 7.42017207 _cell_length_c 8.50688352 _cell_angle_alpha 98.38785422 _cell_angle_beta 98.38785422 _cell_angle_gamma 119.98965497 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	15.211108	4	Nd6 Ag1 Ir2 I3	[0.0005000000000000001, 0.4501666666666666, 0.6004999999999999, 0.24933333333333338, 0.013125, 0.08408333333333334, 0.024166666666666666, 0.15066666666666662, 0.23600000000000007, 0.2383333333333334, 0.15533333333333332, 0.3398333333333332, 0.31116666666666676, 0.2820000000000001, 0.0005000000000000001, 0.0005000000000...	11	0.916667	2.75	0.6	1	0.0 0.0 8.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.696771	1.188722	6.446372	7.635094
277,796	277,796	alex<agm002158618>	LiTm(CuP)2	Cu-Li-P-Tm	6	# generated using pymatgen data_LiTm(CuP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96822131 _cell_length_b 3.96822131 _cell_length_c 6.55892131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	0	4	Li1 Tm1 Cu2 P2	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.5238333333333333, 0.42183333333333334, 0.04033333333333333, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.24283333333333332, 0.3509583333333334, 0.2175, 0.13783333333333334, 0.08349999999999998, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.017, 0.0695,...	7	1.166667	1.75	0.72	1	0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	7.144914	1.251629	6.713875	7.965504
431,799	431,799	alex<agm004829297>	SmEr(TlS2)2	Er-S-Sm-Tl	8	# generated using pymatgen data_SmEr(TlS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06711083 _cell_length_b 7.04608990 _cell_length_c 7.88411069 _cell_angle_alpha 107.31402091 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	11.658355	4	Sm1 Er1 Tl2 S4	[0.0059375, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.011687500000000002, 0.11675, 0.23750000000000002, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.19050000000000006, 0.7272500000000002, 0.3978749999999999, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0...	4	0.5	1	0.57	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.952716	0.811278	6.711563	7.522841
523,388	523,388	alex<agm001616301>	BaNaCa2Rh	Ba-Ca-Na-Rh	5	# generated using pymatgen data_BaNaCa2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67468405 _cell_length_b 5.67468405 _cell_length_c 6.03989129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	71.98048	4	Ba1 Na1 Ca2 Rh1	[0.0005, 0.0005, 0.0005, 0.0005, 0.07010000000000001, 0.5999000000000001, 0.0005, 0.0005, 0.0005, 0.2003, 0.013900000000000001, 0.2003, 0.1337, 0.10029999999999999, 0.0005, 0.0005, 0.0005, 0.038900000000000004, 0.19245, 0.09645000000000001, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005,...	3	0.6	0.75	0.64	1	0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	7.024591	1.370951	6.737369	8.10832
540,187	540,187	alex<agm004711894>	Sm8GeRh3I4	Ge-I-Rh-Sm	16	# generated using pymatgen data_Sm8GeRh3I4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44441467 _cell_length_b 8.44441467 _cell_length_c 9.30239069 _cell_angle_alpha 63.00684101 _cell_angle_beta 63.00684101 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	67.661139	4	Sm8 Ge1 Rh3 I4	[0.0005000000000000002, 0.2993749999999999, 0.3312499999999999, 0.10137499999999998, 0.0008750000000000002, 0.0005000000000000002, 0.02221875, 0.1669062500000001, 0.2273750000000001, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002,...	6	0.375	1.5	0.61	1	0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	7.04258	1.561278	6.717674	8.278952
538,427	538,427	alex<agm004688108>	Sm3ZrAg3Se8	Ag-Se-Sm-Zr	15	# generated using pymatgen data_Sm3ZrAg3Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13294959 _cell_length_b 8.13294959 _cell_length_c 8.15857772 _cell_angle_alpha 61.79386942 _cell_angle_beta 61.79386942 _cell_angle_gamma 61.91041325 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	71.473084	4	Sm3 Zr1 Ag3 Se8	[0.022099999999999998, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002...	4	0.266667	1	0.5	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0...	6.625763	0.970951	6.536659	7.50761
511,049	511,049	alex<agm004852934>	Ca2ZnWN4	Ca-N-W-Zn	16	# generated using pymatgen data_Ca2ZnWN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54742964 _cell_length_b 6.35094332 _cell_length_c 7.05048474 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	34.255916	4	Ca4 Zn2 W2 N8	[0.05150000000000001, 0.06524999999999999, 0.31199999999999994, 0.51225, 0.07137499999999998, 0.009687500000000002, 0.3247500000000001, 0.27575000000000005, 0.11174999999999995, 0.21037499999999998, 0.699875, 0.1364375, 0.39825000000000005, 0.4065, 0.07112499999999998, 0.13750000000000004, 0.16637500000000005, 0.080749...	9	0.5625	2.25	0.6	1	0.0 0.0 2.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0...	6.874147	1.405639	6.674466	8.080105
21,762	21,762	alex<agm003554474>	Nd4Zn3Pd	Nd-Pd-Zn	8	# generated using pymatgen data_Nd4Zn3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83639393 _cell_length_b 4.62766105 _cell_length_c 11.48751754 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	39.077812	3	Nd4 Zn3 Pd1	[0.0005, 0.11000000000000001, 0.44475000000000003, 0.39575000000000005, 0.012875000000000001, 0.0022500000000000003, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.05709375, 0.07324999999999997, 0.07949999999999996, 0.14584374999999997, 0.13699999999999998, 0.0005, 0.0555, 0.0...	2	0.25	0.666667	0.73	1	0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.910123	1.5	6.638571	8.138571
137,031	137,031	alex<agm003612394>	Li2CdPd	Cd-Li-Pd	4	# generated using pymatgen data_Li2CdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48381809 _cell_length_b 4.49619721 _cell_length_c 4.53972277 _cell_angle_alpha 118.93406527 _cell_angle_beta 118.84278425 _cell_angle_gamma 91.32313622 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0	3	Li2 Cd1 Pd1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.992, 0.43474999999999997, 0.0005, 0.0005, 0.0005, 0.17375000000000002, 0.27875, 0.5799999999999998, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0...	4	1	1.333333	0.8	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.733587	0	6.506681	6.506681
155,213	155,213	alex<agm004605640>	La6As3Se2Cl	As-Cl-La-Se	12	# generated using pymatgen data_La6As3Se2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34488006 _cell_length_b 8.65210205 _cell_length_c 9.72205751 _cell_angle_alpha 103.22125895 _cell_angle_beta 102.91202915 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	76.368337	4	La6 As3 Se2 Cl1	[0.0029583333333333336, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.10683333333333332, 0.027333333333333334, 0.15683333333333332, 0.13699999999999998, 0.11083333333333333, 0.0149...	2	0.166667	0.5	0.64	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 2.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.854076	1.251629	6.645334	7.896963
340,090	340,090	alex<agm004713954>	Cs4Nd3TmO8	Cs-Nd-O-Tm	16	# generated using pymatgen data_Cs4Nd3TmO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30112574 _cell_length_b 7.30112574 _cell_length_c 8.10851071 _cell_angle_alpha 63.24260236 _cell_angle_beta 63.24260236 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	16.618267	4	Cs4 Nd3 Tm1 O8	[0.01653125, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.032875, 0.24312499999999998, 0.20325000000000001, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0....	4	0.25	1	1.26	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0...	7.099882	1.5	6.707192	8.207192
158,166	158,166	alex<agm004523930>	Ba2Cd4InSn3	Ba-Cd-In-Sn	10	# generated using pymatgen data_Ba2Cd4InSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91245245 _cell_length_b 4.91245245 _cell_length_c 12.49561053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	0	4	Ba2 Cd4 In1 Sn3	[0.015850000000000003, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.035050000000000005, 0.3981, 0.0037000000000000006, 0.09469999999999999, 0.0991, 0.12129999999999999, 0.0407, 0....	3	0.3	0.75	0.66	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.593617	1.521928	6.336572	7.8585
320,405	320,405	alex<agm005143030>	NaSr2Mg2Tl5	Mg-Na-Sr-Tl	20	# generated using pymatgen data_NaSr2Mg2Tl5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23329771 _cell_length_b 11.94371230 _cell_length_c 11.94371230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	52.343042	4	Na2 Sr4 Mg4 Tl10	[0.0115, 0.3917, 0.17010000000000003, 0.023299999999999998, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.4385, 0.06019999999999999, 0.45089999999999997, 0.30589999999999995, 0.1706, 0.0005000000000000002, 0.0005000000000000002, 0.000500000000000000...	6	0.3	1.5	0.87	1	4.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 18.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0...	7.152687	2.121928	6.67301	8.794938
585,534	585,534	alex<agm003439449>	La2DyMg3	Dy-La-Mg	6	# generated using pymatgen data_La2DyMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89383607 _cell_length_b 3.89383607 _cell_length_c 11.79176146 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	50.179155	3	La2 Dy1 Mg3	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.973, 0.42883333333333334, 0.0335, 0.11816666666666666, 0.1901666666666667, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.1539999999999999...	2	0.333333	0.666667	0.71	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.838938	0	6.689846	6.689846
129,920	129,920	alex<agm003702529>	Na12ZnSn7	Na-Sn-Zn	20	# generated using pymatgen data_Na12ZnSn7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63195703 _cell_length_b 8.63195703 _cell_length_c 8.63195703 _cell_angle_alpha 103.78867118 _cell_angle_beta 103.78867118 _cell_angle_gamma 103.78867118 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	72.180893	3	Na12 Zn1 Sn7	[0.02045, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.11239999999999999, 0.137, 0.0251, 0.06739999999999997, 0.09229999999999997, 0.05719999999999996, 0.08149999999999996, 0.03679999999999998, 0.0005000000000000002, 0.0005000000000000002, 0.000500...	2	0.1	0.666667	0.68	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0....	6.831734	1.570951	6.543408	8.114359
72,027	72,027	alex<agm003289995>	Tb3Sc4	Sc-Tb	7	# generated using pymatgen data_Tb3Sc4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42477882 _cell_length_b 4.69933185 _cell_length_c 12.35718443 _cell_angle_alpha 100.96128928 _cell_angle_beta 97.96536129 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	56.136483	2	Tb3 Sc4	[0.0027857142857142863, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9766428571428573, 0.016178571428571428...	2	0.285714	1	0.7	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.69354	0	6.621276	6.621276
518,358	518,358	alex<agm005182731>	DyYAlGa	Al-Dy-Ga-Y	4	# generated using pymatgen data_DyYAlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05878333 _cell_length_b 4.41270849 _cell_length_c 5.95033182 _cell_angle_alpha 111.76466532 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	16.862737	4	Dy1 Y1 Al1 Ga1	[0.0005, 0.30999999999999994, 0.48849999999999993, 0.2005, 0.002, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.04875, 0.12175, 0.12799999999999995, 0.0005, 0.0005, 0.0005, 0.1875, 0.245, 0.0005, 0.0005, 0.035187500000000003, 0.13243749999999999, 0.20325000000000004, 0.0005, 0.0005, 0.0005, ...	5	1.25	1.25	0.65	1	0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 ...	7.132821	1.5	6.804473	8.304473
544,205	544,205	alex<agm004539167>	Nd2HgSb3Rh4	Hg-Nd-Rh-Sb	10	# generated using pymatgen data_Nd2HgSb3Rh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44869916 _cell_length_b 4.44869916 _cell_length_c 10.94441681 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	43.958997	4	Nd2 Hg1 Sb3 Rh4	[0.02185, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.04045, 0.3853, 0.005050000000000001, 0.09829999999999998, 0.1025, 0.11949999999999998, 0.042100000000000005, 0.04925, 0.0005...	2	0.2	0.5	0.68	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.980191	1.521928	6.693572	8.215501
581,412	581,412	alex<agm001936270>	YHo2Sc	Ho-Sc-Y	4	# generated using pymatgen data_YHo2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48885861 _cell_length_b 3.48885861 _cell_length_c 11.49682465 _cell_angle_alpha 81.27272291 _cell_angle_beta 81.27272291 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	51.478478	3	Y1 Ho2 Sc1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0855, 0.10200000000000001, 0.2845, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.95875, 0.0079375, 0.184, 0.54925]	3	0.75	1	0.72	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 ...	6.743775	0	6.687697	6.687697
103,814	103,814	alex<agm004226742>	Fe2CoPt	Co-Fe-Pt	4	# generated using pymatgen data_Fe2CoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69813820 _cell_length_b 3.54498006 _cell_length_c 5.34751226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	99.135272	3	Fe2 Co1 Pt1	[0.012187500000000002, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.1265, 0.12075000000000001, 0.12350000000000001, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.15024999999999994, 0.11525, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0...	2	0.5	0.666667	0.85	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.581028	0	6.522867	6.522867
2,019	2,019	alex<agm003197286>	Fe2Ni	Fe-Ni	6	# generated using pymatgen data_Fe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66744859 _cell_length_b 4.18084674 _cell_length_c 6.45746057 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.91966757 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	84.32986	2	Fe4 Ni2	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.8646666666666666, 0.44383333333333336, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9241666666666668, 0.03508333...	4	0.666667	2	0.95	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.136797	0	6.065222	6.065223
354,239	354,239	alex<agm002239127>	ScSn2Ir	Ir-Sc-Sn	8	# generated using pymatgen data_ScSn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20515394 _cell_length_b 5.56889803 _cell_length_c 7.71023319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.14546081 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	77.660926	3	Sc2 Sn4 Ir2	[0.010687500000000003, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.2075, 0.4736875000000001, 0.30500000000000005, 0.11199999999999999, 0.4705000000000001, 0.060875, 0.174, 0.17799999999999996, 0.0005, 0.0005, 0.0005, 0.055, 0.0385, 0.0724375, 0.0005, 0.0005, 0.0005, 0.0005, 0.013437500000000002, 0.02925, 0.09025, 0.0005,...	5	0.625	1.666667	0.63	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	7.189341	1.5	6.817516	8.317516
113,165	113,165	alex<agm001169627>	ErAg4Pb	Ag-Er-Pb	6	# generated using pymatgen data_ErAg4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67347652 _cell_length_b 5.67347652 _cell_length_c 5.67347652 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	37.91042	3	Er1 Ag4 Pb1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.4271666666666667, 0.13716666666666666, 0.023833333333333335, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.5685, 0.013000...	3	0.5	1	0.89	1	2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.795955	0.918296	6.704366	7.622662
355,743	355,743	alex<agm001947507>	Gd2SbS	Gd-S-Sb	4	# generated using pymatgen data_Gd2SbS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19955133 _cell_length_b 4.19955133 _cell_length_c 7.30772900 _cell_angle_alpha 73.30145001 _cell_angle_beta 73.30145001 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	89.8733	3	Gd2 Sb1 S1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.009375000000000001, 0.107, 0.24037499999999998, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.192, 0.9177500000000001, 0.4441875, 0.0005, 0.0005, 0.0005, 0.0005, 0.058, 0.18249999999999997, 0.0675, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0...	3	0.75	1	0.63	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.875295	0	6.760605	6.760605
216,117	216,117	alex<agm003407798>	La2PrY3	La-Pr-Y	12	# generated using pymatgen data_La2PrY3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78766350 _cell_length_b 7.21107927 _cell_length_c 10.00531118 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	72.723698	3	La4 Pr2 Y6	[0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.03916666666666667, 0.33349999999999996, 0.6661666666666668, 0.18916666666666668, 0.024333333333333335, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.00050...	3	0.25	1	0.78	1	0.0 0.0 0.0 0.0 0.0 4.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 0.0...	6.411891	0.918296	6.314424	7.23272
340,762	340,762	alex<agm003518243>	Ti(NbPd4)2	Nb-Pd-Ti	11	# generated using pymatgen data_Ti(NbPd4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98999058 _cell_length_b 6.44542868 _cell_length_c 7.39511287 _cell_angle_alpha 107.31718036 _cell_angle_beta 105.65070722 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	79.329973	3	Ti1 Nb2 Pd8	[0.005590909090909091, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001...	2	0.181818	0.666667	0.74	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0....	6.425682	0	6.372611	6.372611
544,018	544,018	alex<agm005086390>	SrCaCdF6	Ca-Cd-F-Sr	18	# generated using pymatgen data_SrCaCdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95138659 _cell_length_b 5.95138659 _cell_length_c 10.25428216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	52.326624	4	Sr2 Ca2 Cd2 F12	[0.001833333333333333, 0.5358333333333332, 0.5825, 0.1751666666666667, 0.0011666666666666668, 0.0005000000000000002, 0.3843333333333333, 0.16983333333333336, 0.25249999999999995, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0...	8	0.444444	2	0.49	1	0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.0 0.0 0.0 0.0 0.0 ...	6.934576	0.918296	6.642798	7.561094
112,721	112,721	alex<agm002169962>	MnPtO2	Mn-O-Pt	4	# generated using pymatgen data_MnPtO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96746587 _cell_length_b 3.07152683 _cell_length_c 6.31706340 _cell_angle_alpha 102.32918437 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.88547209 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	61.35025	3	Mn1 Pt1 O2	[0.001, 0.0005, 0.0005, 0.0005, 0.029500000000000002, 0.25025, 0.3115, 0.23700000000000002, 0.2245, 0.54325, 0.28700000000000003, 0.61575, 0.53875, 0.46525000000000005, 0.112, 0.195, 0.1775, 0.0485, 0.20999999999999996, 0.11025, 0.0005, 0.0005, 0.07568749999999999, 0.34099999999999997, 0.07200000000000001, 0.0795, 0.09...	12	3	4	0.48	1	0.0 0.0 0.0 0.0 0.0 1.0 2.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.744738	1.5	6.555798	8.055799
509,334	509,334	alex<agm004811152>	HfTa(TiC2)2	C-Hf-Ta-Ti	8	# generated using pymatgen data_HfTa(TiC2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15999331 _cell_length_b 5.43109028 _cell_length_c 5.46454353 _cell_angle_alpha 109.54421995 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	26.155413	4	Hf1 Ta1 Ti2 C4	[0.00425, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.19637499999999997, 0.9760000000000001, 0.45025, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.00...	2	0.25	0.5	0.65	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.892671	0	6.717054	6.717054
189,923	189,923	alex<agm003712468>	BaAgPb3	Ag-Ba-Pb	10	# generated using pymatgen data_BaAgPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84465577 _cell_length_b 6.92211876 _cell_length_c 6.98439540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	77.522579	3	Ba2 Ag2 Pb6	[0.048549999999999996, 0.028500000000000004, 0.23970000000000002, 0.3846, 0.11529999999999996, 0.17040000000000002, 0.07529999999999996, 0.11564999999999995, 0.0349, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.10089999999999999, 0.1507, 0.17409999...	5	0.5	1.666667	0.8	1	0.0 0.0 0.0 4.0 0.0 2.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.791566	1.921928	6.466393	8.388322
519,620	519,620	alex<agm001345062>	TbMgInCu	Cu-In-Mg-Tb	4	# generated using pymatgen data_TbMgInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96237451 _cell_length_b 4.96237451 _cell_length_c 4.96237451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	96.684673	4	Tb1 Mg1 In1 Cu1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9995, 0.4335, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005]	2	0.5	0.5	0.72	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.900813	0	6.779011	6.779011
432,801	432,801	alex<agm003400658>	Ho2BeNi2	Be-Ho-Ni	10	# generated using pymatgen data_Ho2BeNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25662128 _cell_length_b 5.25662128 _cell_length_c 7.30373953 _cell_angle_alpha 78.58821674 _cell_angle_beta 78.58821674 _cell_angle_gamma 61.46880420 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	51.158644	3	Ho4 Be2 Ni4	[0.008100000000000001, 0.0725, 0.3357, 0.3336, 0.0128, 0.0021000000000000003, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.19090000000000001, 0.1887, 0.24310000000000004, 0.2043, 0.047099999999999996, 0.13089999999999996, 0.11249999999999998, 0.11289999999999997, 0.0005000000000000001, 0.00050...	4	0.4	1.333333	0.82	1	0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0...	7.179503	1.521928	6.755263	8.277191
284,956	284,956	alex<agm005188762>	LiAlNiIr	Al-Ir-Li-Ni	4	# generated using pymatgen data_LiAlNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08291244 _cell_length_b 4.08291244 _cell_length_c 4.08291244 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	4	Li1 Al1 Ni1 Ir1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9995, 0.4335, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005]	2	0.5	0.5	0.86	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.836091	0	6.620146	6.620146
198,336	198,336	alex<agm004724133>	Ca3Tb4SmSe8	Ca-Se-Sm-Tb	16	# generated using pymatgen data_Ca3Tb4SmSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25481976 _cell_length_b 8.25481976 _cell_length_c 8.29828066 _cell_angle_alpha 60.17309904 _cell_angle_beta 60.17309904 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	14.710319	4	Ca3 Tb4 Sm1 Se8	[0.00275, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.000500000...	2	0.125	0.5	0.6	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0...	6.821514	0	6.746479	6.746479
581,527	581,527	alex<agm003436912>	SrLa2Cd3	Cd-La-Sr	6	# generated using pymatgen data_SrLa2Cd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97140426 _cell_length_b 3.97140426 _cell_length_c 11.99994010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0	3	Sr1 La2 Cd3	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9754999999999999, 0.42841666666666667, 0.06916666666666667, 0.23850000000000002, 0.3848333333333333, 0.0305, 0.04650000000000001, 0.096999999...	4	0.666667	1.333333	0.75	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 ...	6.408877	0	6.37989	6.37989
141,457	141,457	alex<agm003744359>	Dy4RuRh	Dy-Rh-Ru	12	# generated using pymatgen data_Dy4RuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20578386 _cell_length_b 7.46939036 _cell_length_c 7.92464460 _cell_angle_alpha 114.27661743 _cell_angle_beta 108.61284173 _cell_angle_gamma 98.83437190 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	26.39945	3	Dy8 Ru2 Rh2	[0.013666666666666666, 0.0005000000000000001, 0.0036666666666666666, 0.06158333333333332, 0.43116666666666664, 0.1998333333333334, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.24316666666666675, 0.3311666666666667, 0.2677500000000001, 0.30683333333333346, 0.28583333333333344, 0.000500000000000...	7	0.583333	2.333333	0.73	1	0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.97485	1.459148	6.688263	8.147411
436,242	436,242	alex<agm004609657>	Tb6GaP2S3	Ga-P-S-Tb	12	# generated using pymatgen data_Tb6GaP2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97065230 _cell_length_b 8.09422159 _cell_length_c 8.97800368 _cell_angle_alpha 102.91387717 _cell_angle_beta 102.77554414 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	38.14372	4	Tb6 Ga1 P2 S3	[0.005625000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001...	2	0.166667	0.5	0.6	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0...	6.818312	0	6.695614	6.695614
412,126	412,126	alex<agm005158544>	La2ScNiS5	La-Ni-S-Sc	18	# generated using pymatgen data_La2ScNiS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84747420 _cell_length_b 8.44384603 _cell_length_c 11.83580587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.16917873 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	36.735778	4	La4 Sc2 Ni2 S10	[0.05480555555555555, 0.11647222222222221, 0.14361111111111108, 0.12427777777777778, 0.008833333333333334, 0.0015833333333333333, 0.051388888888888894, 0.05083333333333333, 0.0803888888888889, 0.11149999999999999, 0.11894444444444442, 0.08336111111111108, 0.1532777777777778, 0.15372222222222223, 0.12816666666666665, 0....	4	0.222222	1	0.59	1	0.0 2.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 2.0 2.0 0.0 2.0 2.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0....	6.860041	2.947703	6.423898	9.371601
298,936	298,936	alex<agm004971976>	CsCa(HgBr3)2	Br-Ca-Cs-Hg	10	# generated using pymatgen data_CsCa(HgBr3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68390728 _cell_length_b 7.68390728 _cell_length_c 8.40340841 _cell_angle_alpha 62.79407353 _cell_angle_beta 62.79407353 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	94.941461	4	Cs1 Ca1 Hg2 Br6	[0.011449999999999998, 0.21709999999999993, 0.2705, 0.09140000000000001, 0.0011000000000000003, 0.0005000000000000001, 0.2549, 0.23410000000000003, 0.36740000000000006, 0.1355, 0.15169999999999997, 0.18439999999999995, 0.2045, 0.15829999999999997, 0.07849999999999999, 0.06439999999999999, 0.09919999999999998, 0.0698749...	6	0.6	1.5	0.45	1	0.0 0.0 3.0 0.0 0.0 0.0 3.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0...	7.005111	1.895462	6.718542	8.614004
276,185	276,185	alex<agm004534913>	LiPr2Al3Zn4	Al-Li-Pr-Zn	10	# generated using pymatgen data_LiPr2Al3Zn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34100723 _cell_length_b 4.34100723 _cell_length_c 10.55997439 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	35.626536	4	Li1 Pr2 Al3 Zn4	[0.0152, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.04465, 0.3741, 0.00645, 0.10169999999999998, 0.10589999999999997, 0.12349999999999998, 0.0451, 0.056299999999999996, 0.000500...	2	0.2	0.5	0.66	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0...	7.070853	1.921928	6.624075	8.546003
636,095	636,095	mp-1099087	Mg14CoSn	Co-Mg-Sn	16	# generated using pymatgen data_Mg14CoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20582156 _cell_length_b 6.20582156 _cell_length_c 10.24417600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	96.666431	3	Mg14 Co1 Sn1	[0.00275, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.0005000000000000002, 0.000500000...	2	0.125	0.666667	0.65	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0...	6.523484	0	6.444762	6.444762
266,475	266,475	alex<agm004984648>	K2Rb6HgH	H-Hg-K-Rb	10	# generated using pymatgen data_K2Rb6HgH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.73719298 _cell_length_b 9.73719298 _cell_length_c 9.73719298 _cell_angle_alpha 90.12347155 _cell_angle_beta 119.92873929 _cell_angle_gamma 119.92873929 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	74.316807	4	K2 Rb6 Hg1 H1	[0.0799, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0621, 0.5239, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.00050000000000000...	2	0.2	0.5	0.66	1	0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0...	7.182669	1.370951	6.743005	8.113956
164,074	164,074	alex<agm003510576>	K2CdIn7	Cd-In-K	10	# generated using pymatgen data_K2CdIn7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99411867 _cell_length_b 4.99411867 _cell_length_c 12.83383648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	21.988214	3	K2 Cd1 In7	[0.016800000000000002, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0333, 0.3995, 0.0035000000000000005, 0.09430000000000001, 0.09870000000000001, 0.11949999999999997, 0.040100000...	3	0.3	1	0.67	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.947604	1.521928	6.608259	8.130187
536,647	536,647	alex<agm002232943>	Ta2CuP	Cu-P-Ta	8	# generated using pymatgen data_Ta2CuP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54887614 _cell_length_b 5.06460326 _cell_length_c 7.02138132 _cell_angle_alpha 109.97135954 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	93.928629	3	Ta4 Cu2 P2	[0.0022500000000000003, 0.264, 0.49849999999999994, 0.23800000000000002, 0.003, 0.001, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.12824999999999998, 0.2064375, 0.24125, 0.0005, 0.0005, 0.0005, 0.19349999999999998, 0.24768749999999998, 0.0005, 0.0005, 0.0281875, 0.07425, 0.120375, 0.0005, 0.0005, ...	6	0.75	2	0.68	1	0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	7.03886	1	6.758944	7.758944
64,813	64,813	alex<agm003272037>	LiCl2	Cl-Li	6	# generated using pymatgen data_LiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16324590 _cell_length_b 5.00534390 _cell_length_c 7.63938071 _cell_angle_alpha 108.16267517 _cell_angle_beta 95.52528985 _cell_angle_gamma 90.32616485 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	11.0548	2	Li2 Cl4	[0.06916666666666667, 0.018833333333333334, 0.1618333333333333, 0.26516666666666666, 0.021833333333333333, 0.003166666666666667, 0.43849999999999995, 0.3055, 0.40750000000000003, 0.2738333333333333, 0.1245, 0.29183333333333333, 0.35283333333333333, 0.22716666666666666, 0.14583333333333331, 0.30749999999999994, 0.461833...	10	1.666667	5	0.28	1	0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.597234	1.584963	6.074266	7.659228
646,011	646,011	mp-1112609	Cs2InCuCl6	Cl-Cs-Cu-In	10	# generated using pymatgen data_Cs2InCuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32395163 _cell_length_b 7.32395163 _cell_length_c 7.32395163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	45.485493	4	Cs2 In1 Cu1 Cl6	[0.008749999999999999, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0689, 0.5915, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.000...	3	0.3	0.75	0.71	1	0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0...	7.127073	1.370951	6.752076	8.123027
268,065	268,065	alex<agm004637568>	Na2Pr3SmSe6	Na-Pr-Se-Sm	12	# generated using pymatgen data_Na2Pr3SmSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32726934 _cell_length_b 7.32726934 _cell_length_c 7.38130685 _cell_angle_alpha 99.57316487 _cell_angle_beta 99.57316487 _cell_angle_gamma 119.77986930 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	19.194427	4	Na2 Pr3 Sm1 Se6	[0.007833333333333333, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001...	2	0.166667	0.5	0.6	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0....	6.903983	0	6.777668	6.777668
652,781	652,781	mp-9973	VB	B-V	4	# generated using pymatgen data_VB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96925800 _cell_length_b 3.05287800 _cell_length_c 4.29754956 _cell_angle_alpha 110.80498068 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VB ...	0	2	V2 B2	[0.0005, 0.0925, 0.4245, 0.4179999999999999, 0.015875, 0.0025000000000000005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0785, 0.0825, 0.155, 0.13049999999999998, 0.15599999999999997, 0.0005, 0.0005, 0.014375000000000002, 0.060375, 0.116, 0.0005, 0.0005, 0.0005, 0.041, 0.1...	2	0.5	1	0.71	1	0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 ...	6.765682	1	6.268873	7.268873
530,141	530,141	alex<agm004793060>	CaNd(YTl2)2	Ca-Nd-Tl-Y	8	# generated using pymatgen data_CaNd(YTl2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41584038 _cell_length_b 5.41584038 _cell_length_c 9.61012819 _cell_angle_alpha 73.63366560 _cell_angle_beta 73.63366560 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	11.104297	4	Ca1 Nd1 Y2 Tl4	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.18424999999999997, 0.15499999999999997, 0.9789999999999999, 0.432, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0....	2	0.25	0.5	0.93	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 ...	6.899421	0	6.824456	6.824456
484,511	484,511	alex<agm004878621>	RbSmCr2O8	Cr-O-Rb-Sm	12	# generated using pymatgen data_RbSmCr2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85696324 _cell_length_b 5.85696324 _cell_length_c 8.10530782 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0	4	Rb1 Sm1 Cr2 O8	[0.20933333333333334, 0.0005000000000000001, 0.0005000000000000001, 0.005374999999999999, 0.294, 0.23399999999999999, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0145, 0.15849999999999997, 0.001666666666666667, 0.04033333333333334, 0.04233333333333331, 0.0645, 0.0045000000000000005, 0.157, 0....	5	0.416667	1.25	0.46	1	2.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0....	7.172909	1.959148	6.719912	8.67906
528,109	528,109	alex<agm001318772>	NdYZnHg	Hg-Nd-Y-Zn	4	# generated using pymatgen data_NdYZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26836304 _cell_length_b 5.26836304 _cell_length_c 5.26836304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	30.249759	4	Nd1 Y1 Zn1 Hg1	[0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.9995, 0.4335, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005, 0.0005]	2	0.5	0.5	0.73	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 ...	6.749374	0	6.711468	6.711468
240,167	240,167	alex<agm004611894>	Tb3Ce2TmS6	Ce-S-Tb-Tm	12	# generated using pymatgen data_Tb3Ce2TmS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93198291 _cell_length_b 7.91620573 _cell_length_c 8.85045142 _cell_angle_alpha 103.11151332 _cell_angle_beta 102.83443913 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	6.930274	4	Tb3 Ce2 Tm1 S6	[0.0016666666666666668, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.0005000000000000001, 0.000500000000000000...	2	0.166667	0.5	0.64	1	0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0....	6.727702	0	6.632326	6.632326

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