LMucko/crystallography-open-database huggingface dataset:
Crystal structure of the beta-form of tetraarsenic trisulphide
Whitfield, H. J.; Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry 1973 (1973) 1737–1738; doi:

data_9012836
_publ_section_title
;
 Crystal structure of the beta-form of tetraarsenic trisulphide
;
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry'
_journal_page_first              1737
_journal_page_last               1738
_journal_volume                  1973
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As4 S3'
_chemical_name_mineral           Dimorphite
_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_length_a                   11.21
_cell_length_b                   9.90
_cell_length_c                   6.58
_cell_formula_units_Z            4
_cell_volume                     730.242
_database_code_amcsd             0014106
_exptl_crystal_density_diffrn    3.601
_cod_database_code               9012836
The crystal structure of calcium monoborate Ca[B(OH)4]2*2H2O
Ozol, Y.; Vimba, S.; Ievins, A.; Soviet Physics 9 (1964) 22–25; doi:

data_9012837
_publ_section_title
;
 The crystal structure of calcium monoborate Ca[B(OH)4]2*2H2O
;
_journal_name_full               'Soviet Physics'
_journal_page_first              22
_journal_page_last               25
_journal_volume                  9
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B2 Ca H12 O10'
_chemical_name_mineral           Hexahydroborite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.80
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.9997
_cell_length_b                   6.7260
_cell_length_c                   7.9693
_cell_volume                     416.419
_database_code_amcsd             0015534
_exptl_crystal_density_diffrn    1.865
_cod_original_cell_volume        416.418
_cod_original_formula_sum        'Ca B2 (O10 H12)'
_cod_database_code               9012837
Crystal structure determinations of felsobanyaite and basaluminite, Al4(SO4)(OH)10*4H2O Locality: Felsobanya, Hungary
Farkas, L.; Pertlik, F.; Acta Mineralogica Petrographica 38 (1997) 5–15; doi:

data_9012838
_publ_section_title
;
 Crystal structure determinations of felsobanyaite and basaluminite,
 Al4(SO4)(OH)10*4H2O
 Locality: Felsobanya, Hungary
;
_journal_name_full               'Acta Mineralogica Petrographica'
_journal_page_first              5
_journal_page_last               15
_journal_volume                  38
_journal_year                    1997
_chemical_formula_sum            'Al4 H18 O18 S'
_chemical_name_mineral           Felsobanyaite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.34
_cell_angle_gamma                90
_cell_length_a                   13.026
_cell_length_b                   10.015
_cell_length_c                   11.115
_cell_volume                     1404.834
_exptl_crystal_density_diffrn    2.105
_cell_formula_units_Z            4
_cod_depositor_comments
;
    Z inserted to be consisten with given formula
    Oxygen water renamed so that they are recognized as oxygens
                             miguel
;
_cod_original_formula_sum        'Al4 S O18 H18'
_cod_database_code               9012838
_database_code_amcsd 0011981
Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw
Sieber, N. H. W.; Hofmeister, W.; Tillmanns, E.; Abraham, K.; Fortschritte der Mineralogie 62 (1984) 231–232; doi:

data_9012839
_publ_section_title
;
 Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw
;
_journal_name_full               'Fortschritte der Mineralogie'
_journal_page_first              231
_journal_page_last               232
_journal_volume                  62
_journal_year                    1984
_chemical_compound_source        'Reichenbach, Germany'
_chemical_formula_sum            'Cu Fe2 H2 O10 P2'
_chemical_name_mineral           Hentschelite
_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                 117.68
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.977
_cell_length_b                   7.781
_cell_length_c                   7.260
_cell_volume                     349.025
_database_code_amcsd             0012651
_exptl_crystal_density_diffrn    3.798
_cod_original_formula_sum        'Cu Fe2 P2 O10 H2'
_cod_database_code               9012839
Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw
Sieber, N. H. W.; Hofmeister, W.; Tillmanns, E.; Abraham, K.; Fortschritte der Mineralogie 62 (1984) 231–232; doi:

data_9012840
_publ_section_title
;
 Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw
;
_journal_name_full               'Fortschritte der Mineralogie'
_journal_page_first              231
_journal_page_last               232
_journal_volume                  62
_journal_year                    1984
_chemical_compound_source        'Reichenbach, Germany'
_chemical_formula_sum            'As2 Cu5 H4 O12'
_chemical_name_mineral           Cornubite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.93
_cell_angle_beta                 111.30
_cell_angle_gamma                107.47
_cell_formula_units_Z            1
_cell_length_a                   6.121
_cell_length_b                   6.251
_cell_length_c                   6.790
_cell_volume                     227.109
_database_code_amcsd             0012652
_exptl_crystal_density_diffrn    4.852
_cod_original_formula_sum        'Cu5 As2 O12 H4'
_cod_database_code               9012840
Contribution a l'etude du ferrite cuivreux et de ses solutions solides avec le ferrite cuivrique
Mexmain, J.; Annales de Chimie 1971 (1971) 297–308; doi:

data_9012841
_publ_section_title
;Contribution a l'etude du ferrite cuivreux et de ses solutions solides avec
 le ferrite cuivrique
;
_journal_name_full               'Annales de Chimie'
_journal_page_first              297
_journal_page_last               308
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'Cu0.86 Fe2.14 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                   8.394
_cell_length_b                   8.394
_cell_length_c                   8.394
_cell_formula_units_Z            8
_cell_volume                     591.435
_database_code_amcsd             0012012
_exptl_crystal_density_diffrn    5.349
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Cu.86 Fe2.14) O4'
_cod_database_code               9012841
Effet Jahn-Teller cooperatif dans le systeme ZnMn2O4-Zn2SnO4
Nogues, M.; Poix, P.; Annales de Chimie 1972 (1972) 301–314; doi:

data_9012842
_publ_section_title
;
 Effet Jahn-Teller cooperatif dans le systeme ZnMn2O4-Zn2SnO4
;
_journal_name_full               'Annales de Chimie'
_journal_page_first              301
_journal_page_last               314
_journal_volume                  1972
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn2 O4 Zn'
_chemical_name_mineral           Hetaerolite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.722
_cell_length_b                   5.722
_cell_length_c                   9.236
_cell_formula_units_Z            4
_cell_volume                     302.398
_database_code_amcsd             0012015
_exptl_crystal_density_diffrn    5.255
_cod_original_cell_volume        302.399
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Zn Mn2 O4'
_cod_database_code               9012842
Crystal structure of xinganite
Lulu, X. M.; Zhi-Zhong P; Geochemistry 5 (1986) 280–285; doi:

data_9012843
_publ_section_title
;
 Crystal structure of xinganite
;
_journal_name_full               Geochemistry
_journal_page_first              280
_journal_page_last               285
_journal_volume                  5
_journal_year                    1986
_chemical_compound_source        'Daxinganling, China'
_chemical_formula_sum            'Be0.96 Ce0.92 H O5 Si0.98'
_chemical_name_mineral           Hingganite-(Ce)
_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                 90.171
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.7681
_cell_length_b                   7.6757
_cell_length_c                   9.9301
_cell_volume                     363.425
_database_code_amcsd             0012659
_exptl_crystal_density_diffrn    4.498
_cod_original_formula_sum        'Ce.92 Be.96 Si.98 O5 H'
_cod_database_code               9012843
The crystal structure of delhayelite
Cannillo, E.; Rossi, G.; Ungaretti, L.; Rendiconti della Societa Italiana di Mineralogia e Petrologia 26 (1970) 63–75; doi:

data_9012844
_publ_section_title
;
 The crystal structure of delhayelite
;
_journal_name_full
'Rendiconti della Societa Italiana di Mineralogia e Petrologia'
_journal_page_first              63
_journal_page_last               75
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Al Ca2.5 Cl0.9 F2 K3.51 Na1.5 O19 Si7'
_chemical_name_mineral           Delhayelite
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   24.86
_cell_length_b                   7.07
_cell_length_c                   6.53
_cell_formula_units_Z            2
_cell_volume                     1147.714
_database_code_amcsd             0015364
_exptl_crystal_density_diffrn    2.516
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'K3.51 Na1.5 Ca2.5 Al Si7 O19 Cl.9 F2'
_cod_database_code               9012844
Resonant powder X-ray determination of the cation distribution in FeNi2BO5
Perkins, D. A.; Attfield, J. P.; Journal of the Chemical Society, Chemical Communications 1991 (1991) 229–231; doi:10.1039/C39910000229

data_9012845
_publ_section_title
;
 Resonant powder X-ray determination of the cation distribution in FeNi2BO5
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Chemical Communications'
_journal_page_first              229
_journal_page_last               231
_journal_paper_doi               10.1039/C39910000229
_journal_volume                  1991
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B Fe Ni2 O5'
_chemical_name_mineral           Bonaccordite
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.21048
_cell_length_b                   12.23794
_cell_length_c                   3.00620
_cell_formula_units_Z            4
_cell_volume                     338.851
_database_code_amcsd             0014105
_exptl_crystal_density_diffrn    5.176
_cod_original_formula_sum        '(Fe Ni2) B O5'
_cod_database_code               9012845
Kristallstruktur von As2O5
Jansen, M.; Angewandte Chemie 89 (1977) 326–327; doi:10.1002/ange.19770890511

data_9012846
_publ_section_title
;
 Kristallstruktur von As2O5
;
_journal_name_full               'Angewandte Chemie'
_journal_page_first              326
_journal_page_last               327
_journal_paper_doi               10.1002/ange.19770890511
_journal_volume                  89
_journal_year                    1977
_chemical_formula_structural     As2O5
_chemical_formula_sum            'As2 O5'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.646
_cell_length_b                   8.450
_cell_length_c                   4.626
_cell_formula_units_Z            4
_cell_volume                     337.970
_database_code_amcsd             0011989
_exptl_crystal_density_diffrn    4.517
_cod_database_code               9012846
_amcsd_formula_title             As2O5
Extrem kurze nichtbindende sauerstoff-sauerstoff-abstande: Die kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 Note: data from ICSD
Range, K. J.; Wildenauer, M.; Heyns, A. M.; Angewandte Chemie 100 (1988) 973–975; doi:10.1002/ange.19881000721

data_9012847
_publ_section_title
;
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstande: Die
 kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8
 Note: data from ICSD
;
_journal_name_full               'Angewandte Chemie'
_journal_page_first              973
_journal_page_last               975
_journal_paper_doi               10.1002/ange.19881000721
_journal_volume                  100
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B Nb O4'
_chemical_name_mineral           Behierite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.2141
_cell_length_b                   6.2141
_cell_length_c                   5.476
_cell_formula_units_Z            4
_cell_volume                     211.456
_database_code_amcsd             0011990
_exptl_crystal_density_diffrn    5.268
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Nb B O4'
_cod_database_code               9012847
Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 Note: data from ICSD
Range, K. J.; Wildenauer, M.; Heyns, A. M.; Angewandte Chemie 100 (1988) 973–975; doi:10.1002/ange.19881000721

data_9012848
_publ_section_title
;
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die
 kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8
 Note: data from ICSD
;
_journal_name_full               'Angewandte Chemie'
_journal_page_first              973
_journal_page_last               975
_journal_paper_doi               10.1002/ange.19881000721
_journal_volume                  100
_journal_year                    1988
_chemical_formula_structural     NaTa3O8
_chemical_formula_sum            'Na O8 Ta3'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.242
_cell_length_b                   10.462
_cell_length_c                   7.001
_cell_formula_units_Z            4
_cell_volume                     530.436
_database_code_amcsd             0011991
_exptl_crystal_density_diffrn    8.688
_cod_original_formula_sum        'Na Ta3 O8'
_cod_database_code               9012848
_amcsd_formula_title             NaTa3O8
Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 Note: data from ICSD
Range, K. J.; Wildenauer, M.; Heyns, A. M.; Angewandte Chemie 100 (1988) 973–975; doi:10.1002/ange.19881000721

data_9012849
_publ_section_title
;
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die
 kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8
 Note: data from ICSD
;
_journal_name_full               'Angewandte Chemie'
_journal_page_first              973
_journal_page_last               975
_journal_paper_doi               10.1002/ange.19881000721
_journal_volume                  100
_journal_year                    1988
_chemical_formula_structural     NaNb3O8
_chemical_formula_sum            'Na Nb3 O8'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3244
_cell_length_b                   10.3100
_cell_length_c                   7.0426
_cell_formula_units_Z            4
_cell_volume                     531.819
_database_code_amcsd             0011992
_exptl_crystal_density_diffrn    5.367
_cod_database_code               9012849
_amcsd_formula_title             NaNb3O8
Crystal chemistry of actinide phosphates and arsenates
Locock, A. J.; Structural Chemistry of Inorganic Actinide Compounds 6 (2006) 214–278; doi:

data_9012850
_publ_section_title
;
 Crystal chemistry of actinide phosphates and arsenates
;
_journal_name_full
'Structural Chemistry of Inorganic Actinide Compounds'
_journal_page_first              214
_journal_page_last               278
_journal_volume                  6
_journal_year                    2006
_chemical_formula_structural     Zr(PO3)4
_chemical_formula_sum            'O12 P4 Zr'
_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                 90.04
_cell_angle_gamma                90
_cell_length_a                   13.50
_cell_length_b                   28.80
_cell_length_c                   8.66
_cell_formula_units_Z            16
_cell_volume                     3367.007
_database_code_amcsd             0015624
_exptl_crystal_density_diffrn    3.212
_cod_original_formula_sum        'Zr P4 O12'
_cod_database_code               9012850
_amcsd_formula_title             Zr(PO3)4
Crystal chemistry of actinide phosphates and arsenates
Locock, A. J.; Structural Chemistry of Inorganic Actinide Compounds 6 (2006) 214–278; doi:

data_9012851
_publ_section_title
;
 Crystal chemistry of actinide phosphates and arsenates
;
_journal_name_full
'Structural Chemistry of Inorganic Actinide Compounds'
_journal_page_first              214
_journal_page_last               278
_journal_volume                  6
_journal_year                    2006
_chemical_formula_structural     U(PO3)4
_chemical_formula_sum            'O12 P4 U'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.0
_cell_angle_gamma                90
_cell_length_a                   11.51
_cell_length_b                   13.01
_cell_length_c                   8.15
_cell_formula_units_Z            4
_cell_volume                     877.899
_database_code_amcsd             0015625
_exptl_crystal_density_diffrn    4.191
_cod_original_formula_sum        'U P4 O12'
_cod_database_code               9012851
_amcsd_formula_title             U(PO3)4
Rontgenstrukturanalyse von cyclooctaschwefeloxid
Luger, P.; Bradaczek, H.; Steudel, R.; Rebsch, M.; Chemische Berichte 109 (1976) 180–184; doi:10.1002/cber.19761090117

data_9012852
_publ_section_title
;
 Rontgenstrukturanalyse von cyclooctaschwefeloxid
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              180
_journal_page_last               184
_journal_paper_doi               10.1002/cber.19761090117
_journal_volume                  109
_journal_year                    1976
_chemical_formula_structural     S8O
_chemical_formula_sum            'O S8'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.197
_cell_length_b                   7.973
_cell_length_c                   8.096
_cell_formula_units_Z            4
_cell_volume                     851.859
_database_code_amcsd             0012193
_exptl_crystal_density_diffrn    2.125
_cod_original_cell_volume        851.858
_cod_original_formula_sum        'S8 O'
_cod_database_code               9012852
_amcsd_formula_title             S8O
About the structure of the cubic modification of Sb2O3 Note: y(O) and z(O) corrected
Zav'yalova, A. A.; Imamov, R. M.; Soviet Journal of Coordination Chemistry 1 (1975) 1186–1188; doi:

data_9012853
_publ_section_title
;
 About the structure of the cubic modification of Sb2O3
 Note: y(O) and z(O) corrected
;
_journal_name_full               'Soviet Journal of Coordination Chemistry'
_journal_page_first              1186
_journal_page_last               1188
_journal_volume                  1
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O3 Sb2'
_chemical_name_mineral           Senarmontite
_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                   11.10
_cell_length_b                   11.10
_cell_length_c                   11.10
_cell_formula_units_Z            16
_cell_volume                     1367.631
_database_code_amcsd             0015530
_exptl_crystal_density_diffrn    5.663
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Sb2 O3'
_cod_database_code               9012853
The crystal structure of braithwaiteite
Hawthorne, F. C.; Cooper, M. A.; Paar, W. H.; Journal of Coordination Chemistry 61 (2008) 15–29; doi:10.1080/00958970701700961

data_9012854
_publ_section_title
;
 The crystal structure of braithwaiteite
;
_journal_name_full               'Journal of Coordination Chemistry'
_journal_page_first              15
_journal_page_last               29
_journal_paper_doi               10.1080/00958970701700961
_journal_volume                  61
_journal_year                    2008
_chemical_compound_source        'Black Vein, Laurani, Bolivia'
_chemical_formula_sum            'As6 Cu5 H18 Na O34 Sb0.96 Ti1.04'
_chemical_name_mineral           Braithwaiteite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.973
_cell_angle_beta                 104.274
_cell_angle_gamma                93.839
_cell_formula_units_Z            1
_cell_length_a                   7.0308
_cell_length_b                   9.8823
_cell_length_c                   10.6754
_cell_volume                     679.756
_database_code_amcsd             0013021
_exptl_crystal_density_diffrn    3.711
_cod_original_formula_sum        'As6 (Sb.96 Ti1.04) Cu5 Na O34 H18'
_cod_database_code               9012854