LMucko/crystallography-open-database huggingface dataset:
The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite, MnCa2(AsO4)2*2H2O Locality: Harstigen mine, Sweden
Dahlman, B.; Arkiv for Mineralogi och Geologi 1 (1952) 339–366; doi:

data_9012423
_publ_section_title
;The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite,
 MnCa2(AsO4)2*2H2O Locality: Harstigen mine, Sweden
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              339
_journal_page_last               366
_journal_volume                  1
_journal_year                    1952
_chemical_compound_source        'Harstigen mine, Sweden'
_chemical_formula_sum            'As2 Ca2 H4 Mn O10'
_chemical_name_mineral           Brandtite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 80.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.65
_cell_length_b                   12.80
_cell_length_c                   5.65
_cell_volume                     403.004
_database_code_amcsd             0012042
_exptl_crystal_density_diffrn    3.700
_cod_original_formula_sum        'Mn Ca2 As2 O10 H4'
_cod_database_code               9012423
The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite, MnCa2(AsO4)2*2H2O Locality: Chuquicamata, Chile
Dahlman, B.; Arkiv for Mineralogi och Geologi 1 (1952) 339–366; doi:

data_9012424
_publ_section_title
;The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite,
 MnCa2(AsO4)2*2H2O Locality: Chuquicamata, Chile
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              339
_journal_page_last               366
_journal_volume                  1
_journal_year                    1952
_chemical_compound_source        'Chuquicamata, Chile'
_chemical_formula_sum            'Cu H4 Na2 O10 S2'
_chemical_name_mineral           Krohnkite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 71.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.78
_cell_length_b                   12.58
_cell_length_c                   5.48
_cell_volume                     377.873
_database_code_amcsd             0012043
_exptl_crystal_density_diffrn    2.968
_cod_original_formula_sum        'Cu Na2 S2 O10 H4'
_cod_database_code               9012424
Perite, a new oxyhalide mineral from Langban, Sweden
Gillberg, M.; Arkiv for Mineralogi och Geologi 2 (1960) 565–570; doi:

data_9012425
_publ_section_title
;
 Perite, a new oxyhalide mineral from Langban, Sweden
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              565
_journal_page_last               570
_journal_volume                  2
_journal_year                    1960
_chemical_compound_source        'Langban, Sweden'
_chemical_formula_sum            'Bi Cl O2 Pb'
_chemical_name_mineral           Perite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2b 2'
_symmetry_space_group_name_H-M   'B m m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.627
_cell_length_b                   5.575
_cell_length_c                   12.425
_cell_formula_units_Z            4
_cell_volume                     389.779
_database_code_amcsd             0012046
_exptl_crystal_density_diffrn    8.241
_cod_original_formula_sum        'Pb Bi Cl O2'
_cod_database_code               9012425
Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
Mereiter, K.; Preisinger, A.; Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79–81; doi:

data_9012426
_publ_section_title
;
 Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
;
_journal_name_full
'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_page_first              79
_journal_page_last               81
_journal_volume                  123
_journal_year                    1986
_chemical_compound_source        'Tintic, Utah, USA'
_chemical_formula_sum            'As3 Bi0.66 Ca0.34 Cu6 H11.298 O21'
_chemical_name_mineral           Mixite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.646
_cell_length_b                   13.646
_cell_length_c                   5.920
_cell_volume                     954.692
_database_code_amcsd             0012026
_exptl_crystal_density_diffrn    3.846
_cod_data_source_file            12383.cif
_cod_data_source_block           global
_cod_original_formula_sum        '(Bi.66 Ca.34) Cu6 As3 O21 H11.298'
_cod_database_code               9012426
_cod_duplicate_entry 9009869
Precision determination of lattice constants Sample: at T = 25C Note: latice parameter is average of four samples
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012427
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25C
 Note: latice parameter is average of four samples
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ni
_chemical_name_mineral           Nickel
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.5168
_cell_length_b                   3.5168
_cell_length_c                   3.5168
_cell_volume                     43.495
_database_code_amcsd             0012932
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    8.963
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012427
Precision determination of lattice constants Locality: synthetic Sample: at T = 25 C Note: lattice parameter is average of two samples
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012428
_publ_section_title
;
 Precision determination of lattice constants
 Locality: synthetic
 Sample: at T = 25 C
 Note: lattice parameter is average of two samples
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_formula_sum            Al
_chemical_name_mineral           Aluminum
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0413
_cell_length_b                   4.0413
_cell_length_c                   4.0413
_cell_volume                     66.003
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.715
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012428
_database_code_amcsd 0012933
Precision determination of lattice constants Locality: synthetic Sample: at T = 25 C Note: lattice parameter is average of two samples
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012429
_publ_section_title
;
 Precision determination of lattice constants
 Locality: synthetic
 Sample: at T = 25 C
 Note: lattice parameter is average of two samples
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_formula_sum            Al
_chemical_name_mineral           Aluminium
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0413
_cell_length_b                   4.0413
_cell_length_c                   4.0413
_cell_volume                     66.003
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.715
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012429
_cod_duplicate_entry 9012428
Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012430
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of 1 sample
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            Au
_chemical_name_mineral           Gold
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0704
_cell_length_b                   4.0704
_cell_length_c                   4.0704
_cell_volume                     67.439
_database_code_amcsd             0012935
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    19.399
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012430
Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012431
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of 1 sample
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ag
_chemical_name_mineral           Silver
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0778
_cell_length_b                   4.0778
_cell_length_c                   4.0778
_cell_volume                     67.808
_database_code_amcsd             0012936
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    10.566
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_cell_volume        67.807
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012431
Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012432
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of two samples
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            Mo
_chemical_name_mineral           Molybdenum
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.1410
_cell_length_b                   3.1410
_cell_length_c                   3.1410
_cell_volume                     30.989
_database_code_amcsd             0012937
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    10.282
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012432
Precision determination of lattice constants Sample: at T = 25 C Note: sample 1
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012433
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: sample 1
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            W
_chemical_name_mineral           Tungsten
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.1583
_cell_length_b                   3.1583
_cell_length_c                   3.1583
_cell_volume                     31.504
_database_code_amcsd             0012938
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    19.381
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012433
Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of four samples
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012434
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of four samples
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            Mg
_chemical_name_common            Magnesium
_chemical_name_mineral           Magnesium
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.2030
_cell_length_b                   3.2030
_cell_length_c                   5.2002
_cell_volume                     46.202
_database_code_amcsd             0012939
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    1.747
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_database_code               9012434
Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012435
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of three samples
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            Zn
_chemical_name_mineral           Zinc
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.6594
_cell_length_b                   2.6594
_cell_length_c                   4.9368
_cell_volume                     30.237
_database_code_amcsd             0012940
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    7.182
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_database_code               9012435
Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012436
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of two samples
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            Cd
_chemical_name_mineral           Cadmium
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.9731
_cell_length_b                   2.9731
_cell_length_c                   5.6069
_cell_volume                     42.921
_database_code_amcsd             0012941
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    8.698
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_database_code               9012436
Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples
Jette, E. R.; Foote, F.; Journal of Chemical Physics 3 (1935) 605–616; doi:10.1063/1.1749562

data_9012437
_publ_section_title
;
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of three samples
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              605
_journal_page_last               616
_journal_paper_doi               10.1063/1.1749562
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            Bi
_chemical_name_common            Bismuth
_chemical_name_mineral           Bismuth
_chemical_name_systematic        Bismuth
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.5372
_cell_length_b                   4.5372
_cell_length_c                   11.8381
_cell_volume                     211.052
_database_code_amcsd             0012943
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.288
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_database_code               9012437
Physical properties and cation arrangement of oxides with spinel structures
Verwey, E. J. W.; Heilmann, E. L.; Journal of Chemical Physics 15 (1947) 174–180; doi:10.1063/1.1746464

data_9012438
_publ_section_title
;
 Physical properties and cation arrangement of oxides with spinel structures
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              174
_journal_page_last               180
_journal_paper_doi               10.1063/1.1746464
_journal_volume                  15
_journal_year                    1947
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu Fe2 O4'
_chemical_name_mineral           Cuprospinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.37
_cell_length_b                   8.37
_cell_length_c                   8.37
_cell_formula_units_Z            8
_cell_volume                     586.376
_database_code_amcsd             0012944
_exptl_crystal_density_diffrn    5.420
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9012438
Physical properties and cation arrangement of oxides with spinel structures
Verwey, E. J. W.; Heilmann, E. L.; Journal of Chemical Physics 15 (1947) 174–180; doi:10.1063/1.1746464

data_9012439
_publ_section_title
;
 Physical properties and cation arrangement of oxides with spinel structures
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              174
_journal_page_last               180
_journal_paper_doi               10.1063/1.1746464
_journal_volume                  15
_journal_year                    1947
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 Mg O4'
_chemical_name_mineral           Magnesiochromite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.312
_cell_length_b                   8.312
_cell_length_c                   8.312
_cell_formula_units_Z            8
_cell_volume                     574.271
_database_code_amcsd             0012945
_exptl_crystal_density_diffrn    4.448
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9012439