LMucko/crystallography-open-database huggingface dataset:
The Crystal Structure of a Mixed Valence Copper Cyanide Complex, Cu3 (N H3)3 (C N)4
Williams, R.J.; Cromer, D.T.; Larson, A.C.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1701–1706; doi:

data_2106224
_publ_section_title
;
 The Crystal Structure of a Mixed Valence Copper Cyanide Complex, Cu3 (N
 H3)3 (C N)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1701
_journal_page_last               1706
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'C4 H9 Cu3 N7'
_chemical_name_systematic        'Cu3 (C N)4 (N H3)3'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.273
_cell_length_b                   13.646
_cell_length_c                   12.777
_cell_volume                     2139.858
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Williams_ACBCAR_1971_87.cif
_cod_data_source_block           C4H9Cu3N7
_cod_database_code               2106224
Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl
Williams, D.; Pleune, B.; Kouvetakis, J.; Leinenweber, K.; Journal of Solid State Chemistry 159 (2001) 244–250; doi:

data_1526944
_publ_section_title
;
 Synthesis and structural properties of the binary framework C - N
 compounds of Be, Mg, Al and Tl
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              244
_journal_page_last               250
_journal_volume                  159
_journal_year                    2001
_chemical_formula_sum            'C2 Be N2'
_chemical_name_systematic        'Be (C N)2'
_space_group_IT_number           224
_symmetry_space_group_name_Hall  '-P 4bc 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.339
_cell_length_b                   5.339
_cell_length_c                   5.339
_cell_volume                     152.188
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Williams_JSSCBI_2001_1595.cif
_cod_data_source_block           C2Be1N2
_cod_original_cell_volume        152.1878
_cod_original_formula_sum        'C2 Be1 N2'
_cod_database_code               1526944
Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl
Williams, D.; Kouvetakis, J.; Pleune, B.; Leinenweber, K.; Journal of Solid State Chemistry 159 (2001) 244–250; doi:

data_1526945
_publ_section_title
;
 Synthesis and structural properties of the binary framework C - N
 compounds of Be, Mg, Al and Tl
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              244
_journal_page_last               250
_journal_volume                  159
_journal_year                    2001
_chemical_formula_sum            'C2 Mg N2'
_chemical_name_systematic        'Mg (C N)2'
_space_group_IT_number           224
_symmetry_space_group_name_Hall  '-P 4bc 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.122
_cell_length_b                   6.122
_cell_length_c                   6.122
_cell_volume                     229.446
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Williams_JSSCBI_2001_1596.cif
_cod_data_source_block           C2Mg1N2
_cod_original_cell_volume        229.4458
_cod_original_formula_sum        'C2 Mg1 N2'
_cod_database_code               1526945
Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl
Williams, D.; Kouvetakis, J.; Pleune, B.; Leinenweber, K.; Journal of Solid State Chemistry 159 (2001) 244–250; doi:

data_1526946
_publ_section_title
;
 Synthesis and structural properties of the binary framework C - N
 compounds of Be, Mg, Al and Tl
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              244
_journal_page_last               250
_journal_volume                  159
_journal_year                    2001
_chemical_formula_sum            'C3 Al N3'
_chemical_name_systematic        'Al (C N)3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.205
_cell_length_b                   5.205
_cell_length_c                   5.205
_cell_volume                     141.014
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Williams_JSSCBI_2001_1597.cif
_cod_data_source_block           C3Al1N3
_cod_original_formula_sum        'C3 Al1 N3'
_cod_database_code               1526946
Crystal structure of the monoclinic perovskite Sr~3.94~Ca~1.31~Bi~2.70~O~12~
Wong-Ng, W.; Kaduk, J. A.; Huang, Q.; Roth, R. S.; Powder Diffraction 15 (2000) 227–233; doi:10.1017/S0885715600011131

data_1526947
_publ_section_title
;
 Crystal structure of the monoclinic perovskite Sr~3.94~Ca~1.31~Bi~2.70~O~12~
;
_journal_issue                   4
_journal_name_full               'Powder Diffraction'
_journal_page_first              227
_journal_page_last               233
_journal_paper_doi               10.1017/S0885715600011131
_journal_volume                  15
_journal_year                    2000
_chemical_formula_sum            'Bi2.8 Ca1.2 O12 Sr4'
_chemical_name_systematic        '(Bi2.8 Ca1.2) Sr4 O12'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.997
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.38898
_cell_length_b                   5.99334
_cell_length_c                   5.89586
_cell_volume                     296.432
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2000_456.cif
_cod_data_source_block           Bi2.8Ca1.2O12Sr4
_cod_original_cell_volume        296.4321
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1526947
Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements
Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.; Powder Diffraction 16 (2001) 131–143; doi:

data_1526948
_publ_section_title
;
 Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21
 by Rietveld refinements
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              131
_journal_page_last               143
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'Ba5 Eu8 O21 Zn4'
_chemical_name_systematic        'Ba5 Eu8 Zn4 O21'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.96062
_cell_length_b                   13.96062
_cell_length_c                   5.78483
_cell_volume                     1127.457
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2001_1867.cif
_cod_data_source_block           Ba5Eu8O21Zn4
_cod_database_code               1526948
Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements
Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.; Powder Diffraction 16 (2001) 131–143; doi:

data_1526949
_publ_section_title
;
 Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21
 by Rietveld refinements
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              131
_journal_page_last               143
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'Ba5 Gd8 O21 Zn4'
_chemical_name_systematic        'Ba5 Gd8 Zn4 O21'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.91895
_cell_length_b                   13.91895
_cell_length_c                   5.76822
_cell_volume                     1117.519
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2001_1868.cif
_cod_data_source_block           Ba5Gd8O21Zn4
_cod_database_code               1526949
Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements
Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.; Powder Diffraction 16 (2001) 131–143; doi:

data_1526950
_publ_section_title
;
 Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21
 by Rietveld refinements
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              131
_journal_page_last               143
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'Ba5 Dy8 O21 Zn4'
_chemical_name_systematic        'Ba5 Dy8 Zn4 O21'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.80473
_cell_length_b                   13.80473
_cell_length_c                   5.72491
_cell_volume                     1090.999
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2001_1869.cif
_cod_data_source_block           Ba5Dy8O21Zn4
_cod_database_code               1526950
Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements
Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.; Powder Diffraction 16 (2001) 131–143; doi:

data_1526951
_publ_section_title
;
 Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21
 by Rietveld refinements
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              131
_journal_page_last               143
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'Ba5 Ho8 O21 Zn4'
_chemical_name_systematic        'Ba5 Ho8 Zn4 O21'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.76577
_cell_length_b                   13.76577
_cell_length_c                   5.70754
_cell_volume                     1081.558
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2001_1870.cif
_cod_data_source_block           Ba5Ho8O21Zn4
_cod_database_code               1526951
Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements
Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.; Powder Diffraction 16 (2001) 131–143; doi:

data_1526952
_publ_section_title
;
 Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21
 by Rietveld refinements
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              131
_journal_page_last               143
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'Ba5 Er8 O21 Zn4'
_chemical_name_systematic        'Ba5 Er8 Zn4 O21'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.71838
_cell_length_b                   13.71838
_cell_length_c                   5.69019
_cell_volume                     1070.859
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2001_1871.cif
_cod_data_source_block           Ba5Er8O21Zn4
_cod_database_code               1526952
Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements
Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.; Powder Diffraction 16 (2001) 131–143; doi:

data_1526953
_publ_section_title
;
 Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21
 by Rietveld refinements
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              131
_journal_page_last               143
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'Ba5 O21 Tm8 Zn4'
_chemical_name_systematic        'Ba5 Tm8 Zn4 O21'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.67323
_cell_length_b                   13.67323
_cell_length_c                   5.67492
_cell_volume                     1060.967
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2001_1872.cif
_cod_data_source_block           Ba5O21Tm8Zn4
_cod_database_code               1526953
Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements
Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.; Powder Diffraction 16 (2001) 131–143; doi:

data_1526954
_publ_section_title
;
 Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21
 by Rietveld refinements
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              131
_journal_page_last               143
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'Ba5 O21 Yb8 Zn4'
_chemical_name_systematic        'Ba5 Yb8 Zn4 O21'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.63502
_cell_length_b                   13.63502
_cell_length_c                   5.65846
_cell_volume                     1051.986
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2001_1873.cif
_cod_data_source_block           Ba5O21Yb8Zn4
_cod_database_code               1526954
Synthesis and structure of Sr2 Mn Ga O5, a new layered manganese oxide
Wright, A.J.; Palmer, H.M.; Greaves, C.; Anderson, P.A.; Journal of Materials Chemistry 11 (2001) 1324–1326; doi:

data_7221323
_publ_section_title
;
 Synthesis and structure of Sr2 Mn Ga O5, a new layered manganese oxide
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1324
_journal_page_last               1326
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'Ga Mn O5 Sr2'
_chemical_name_systematic        'Sr2 (Mn Ga O5)'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2 2b'
_symmetry_space_group_name_H-M   'I c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5033
_cell_length_b                   16.234
_cell_length_c                   5.3717
_cell_volume                     479.911
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Wright_JMACEP_2001_1393.cif
_cod_data_source_block           Ga1Mn1O5Sr2
_cod_original_cell_volume        479.9107
_cod_original_sg_symbol_Hall     '-I 2b 2 (z,y,-x)'
_cod_original_formula_sum        'Ga1 Mn1 O5 Sr2'
_cod_database_code               7221323
Variable temperature powder neutron diffraction study of the Verwey transition in magnetite Fe3 O4
Wright, J.P.; Bell, A.M.T.; Attfield, J.P.; Solid State Sciences 2 (2000) 747–753; doi:

data_1526955
_publ_section_title
;
 Variable temperature powder neutron diffraction study of the Verwey
 transition in magnetite Fe3 O4
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              747
_journal_page_last               753
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Fe3 O4'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.92767
_cell_length_b                   5.92767
_cell_length_c                   14.5699
_cell_volume                     443.359
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Wright_SSSCFJ_2000_659.cif
_cod_data_source_block           Fe3O4
_cod_original_cell_volume        443.3587
_cod_database_code               1526955
Hydrothermal synthesis and crystal structure of trioxomolybdate: Na H3 O Mo3 O10
Wu, C.-D.; Wu, D.-M.; Lin, X.; Lu, C.-Z.; Zhuang, H.-H.; Jiegon Huaxue 20 (2001) 266–269; doi:

data_1526956
_publ_section_title
;
 Hydrothermal synthesis and crystal structure of trioxomolybdate: Na H3 O
 Mo3 O10
;
_journal_name_full               'Jiegon Huaxue'
_journal_page_first              266
_journal_page_last               269
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'H3 Mo3 Na O11'
_chemical_name_systematic        'Na (H3 O) (Mo3 O10)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.411
_cell_length_b                   7.566
_cell_length_c                   14.359
_cell_volume                     913.773
_citation_journal_id_ASTM        JHUADF
_cod_data_source_file            Wu_JHUADF_2001_1384.cif
_cod_data_source_block           H3Mo3Na1O11
_cod_original_cell_volume        913.7727
_cod_original_formula_sum        'H3 Mo3 Na1 O11'
_cod_database_code               1526956
Synthesis and crystal structure of ((N H4)6) (Gd2 Mo36 O112 (H2 O)20) * 52(H2 O)
Wu, C.-D.; Lin, X.; Yang, W.-B.; Zhuang, H.-H.; Lu, C.-Z.; Jiegon Huaxue 20 (2001) 358–362; doi:

data_1526957
_publ_section_title
;
 Synthesis and crystal structure of ((N H4)6) (Gd2 Mo36 O112 (H2 O)20) *
 52(H2 O)
;
_journal_name_full               'Jiegon Huaxue'
_journal_page_first              358
_journal_page_last               362
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'Gd2 Mo36 N6 O163'
_chemical_name_systematic        '(N H4)6 ((Gd2 Mo36 O112) (H2 O)20) (H2 O)52'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 127.07
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   42.313
_cell_length_b                   16.924
_cell_length_c                   26.404
_cell_volume                     15086.720
_citation_journal_id_ASTM        JHUADF
_cod_data_source_file            Wu_JHUADF_2001_1496.cif
_cod_data_source_block           Gd2Mo36N6O163
_cod_original_cell_volume        15086.72
_cod_database_code               1526957
A novel Mo-doped compound with graphite-like structure: (H3 O)2 V3 O8
Wu, C.-D.; Lin, X.; Yang, W.-B.; Lu, C.-Z.; Zhuang, H.-H.; Jiegon Huaxue 20 (2001) 462–465; doi:

data_1526958
_publ_section_title
;
 A novel Mo-doped compound with graphite-like structure: (H3 O)2 V3 O8
;
_journal_name_full               'Jiegon Huaxue'
_journal_page_first              462
_journal_page_last               465
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'H6 O10 V3'
_chemical_name_systematic        '(H3 O)2 V3 O8'
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.904
_cell_length_b                   8.904
_cell_length_c                   5.573
_cell_volume                     441.834
_citation_journal_id_ASTM        JHUADF
_cod_data_source_file            Wu_JHUADF_2001_1798.cif
_cod_data_source_block           H6O10V3
_cod_original_cell_volume        441.8342
_cod_database_code               1526958
Comparison of superconductivity-depression for lanthanum and potassium replacing barium in Y Ba2 Cu3 Oy ceramic cuprate
Wu, X.S.; Gao, J.; Physica C (Amsterdam) 329 (2000) 285–291; doi:

data_1526959
_publ_section_title
;
 Comparison of superconductivity-depression for lanthanum and potassium
 replacing barium in Y Ba2 Cu3 Oy ceramic cuprate
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              285
_journal_page_last               291
_journal_volume                  329
_journal_year                    2000
_chemical_formula_sum            'Ba1.96 Cu3 K0.04 O7 Y'
_chemical_name_systematic        'Y (Ba1.96 K0.04) Cu3 O7'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8802
_cell_length_b                   3.8159
_cell_length_c                   11.657
_cell_volume                     172.599
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Wu_PHYCE6_2000_403.cif
_cod_data_source_block           Ba1.96Cu3K0.04O7Y1
_cod_original_cell_volume        172.5988
_cod_original_formula_sum        'Ba1.96 Cu3 K0.04 O7 Y1'
_cod_database_code               1526959