LMucko/crystallography-open-database huggingface dataset:
The crystal structures of three Canadian vesuvianites Sample: #2 Bancroft
Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J.; The Canadian Mineralogist 13 (1975) 15–21; doi:

data_9004082
_publ_section_title
;
 The crystal structures of three Canadian vesuvianites
 Sample: #2 Bancroft
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              15
_journal_page_last               21
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Al4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9'
_chemical_name_mineral           Vesuvianite
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.558
_cell_length_b                   15.558
_cell_length_c                   11.810
_cell_volume                     2858.627
_database_code_amcsd             0005101
_exptl_crystal_density_diffrn    3.419
_cod_original_cell_volume        2858.626
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum        'Si9 Ca9.052 Na.54 Fe1.459 Al4.972 O39 H4'
_cod_database_code               9004082
The crystal structures of three Canadian vesuvianites Sample: #3 Wakefield
Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J.; The Canadian Mineralogist 13 (1975) 15–21; doi:

data_9004083
_publ_section_title
;
 The crystal structures of three Canadian vesuvianites
 Sample: #3 Wakefield
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              15
_journal_page_last               21
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Al4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16'
_chemical_name_mineral           Vesuvianite
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5430
_cell_length_b                   15.5430
_cell_length_c                   11.7905
_cell_volume                     2848.406
_database_code_amcsd             0005102
_exptl_crystal_density_diffrn    3.516
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum        'Si9 Ca10 Fe1.24 Al4.92 Mg.68 Ti.16 O39 H4'
_cod_database_code               9004083
Two crystal structure refinements of a P2/n titanian ferro-omphacite Sample: Tronto
Curtis, L.; Gittins, J.; Kocman, V.; Rucklidge, J. C.; Hawthorne, F. C.; Ferguson, R. B.; The Canadian Mineralogist 13 (1975) 62–67; doi:

data_9004084
_publ_section_title
;
 Two crystal structure refinements of a P2/n titanian ferro-omphacite
 Sample: Tronto
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              62
_journal_page_last               67
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Al0.525 Ca0.492 Fe0.475 Na0.508 O6 Si2'
_chemical_name_mineral           Omphacite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.92
_cell_angle_gamma                90
_cell_length_a                   9.622
_cell_length_b                   8.826
_cell_length_c                   5.279
_cell_formula_units_Z            4
_cell_volume                     428.906
_database_code_amcsd             0005103
_exptl_crystal_density_diffrn    3.473
_cod_original_formula_sum        '(Fe.475 Al.525) (Ca.492 Na.508) Si2 O6'
_cod_database_code               9004084
Two crystal structure refinements of a P2/n titanian ferro-omphacite Sample: Winnipeg
Curtis, L.; Gittins, J.; Kocman, V.; Rucklidge, J. C.; Hawthorne, F. C.; Ferguson, R. B.; The Canadian Mineralogist 13 (1975) 62–67; doi:

data_9004085
_publ_section_title
;
 Two crystal structure refinements of a P2/n titanian ferro-omphacite
 Sample: Winnipeg
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              62
_journal_page_last               67
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Al0.481 Ca0.466 Fe0.518 Na0.534 O6 Si2'
_chemical_name_mineral           Omphacite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.92
_cell_angle_gamma                90
_cell_length_a                   9.622
_cell_length_b                   8.826
_cell_length_c                   5.279
_cell_formula_units_Z            4
_cell_volume                     428.906
_database_code_amcsd             0005104
_exptl_crystal_density_diffrn    3.485
_cod_original_formula_sum        '(Fe.518 Al.481) (Ca.466 Na.534) Si2 O6'
_cod_database_code               9004085
Refinement of the structure of Co9S8
Rajamani V; Prewitt C T; The Canadian Mineralogist 13 (1975) 75–78; doi:

data_9004086
_publ_section_title
;
 Refinement of the structure of Co9S8
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              75
_journal_page_last               78
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Co8.84 S8'
_chemical_name_mineral           'Cobalt pentlandite'
_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_length_a                   9.923
_cell_length_b                   9.923
_cell_length_c                   9.923
_cell_formula_units_Z            4
_cell_volume                     977.078
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9004086
_database_code_amcsd 0005105
Crystal structure of a natural titanomagnetite
Stout, M. Z.; Bayliss, P.; The Canadian Mineralogist 13 (1975) 86–88; doi:

data_9004087
_publ_section_title
;
 Crystal structure of a natural titanomagnetite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              86
_journal_page_last               88
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum
'Al0.088 Ca0.006 Cr0.038 Fe2.205 Mg0.05 Mn0.014 O4 Si0.008 Ti0.59 V0.02'
_chemical_name_mineral           Titanomagnetite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.3976
_cell_length_b                   8.3976
_cell_length_c                   8.3976
_cell_volume                     592.196
_database_code_amcsd             0005107
_exptl_crystal_density_diffrn    5.007
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Fe2.205 Mn.014 Si.008 Ti.59 Al.088 Mg.05 Cr.038 V.02 Ca.006 O4'
_cod_database_code               9004087
Rustenburgite and atokite, two new platinum-group minerals from the Merensky Reef, Bushveld igneous complex Locality: the Rustenburg and Atok Platinum Mines in the Bushveld Igneous complex, South Africa
Mihalik, P.; Hiemstra, S. A.; de Villiers, J. P. R.; The Canadian Mineralogist 13 (1975) 146–150; doi:

data_9004088
_publ_section_title
;Rustenburgite and atokite, two new platinum-group minerals from the Merensky
 Reef, Bushveld igneous complex Locality: the Rustenburg and Atok Platinum
 Mines in the Bushveld Igneous complex, South Africa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              146
_journal_page_last               150
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Pd0.486 Pt0.302 Sn0.212'
_chemical_name_mineral           Atokite
_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_length_a                   3.991
_cell_length_b                   3.991
_cell_length_c                   3.991
_cell_formula_units_Z            4
_cell_volume                     63.569
_exptl_crystal_density_diffrn    14.189
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Pt.302 Pd.486 Sn.212)'
_cod_database_code               9004088
_database_code_amcsd 0005109
Rustenburgite and atokite, two new platinum-group minerals from the Merensky Reef, Bushveld igneous complex Locality: the Rustenburg and Atok Platinum Mines in the Bushveld Igneous complex, South Africa
Mihalik, P.; Hiemstra, S. A.; de Villiers, J. P. R.; The Canadian Mineralogist 13 (1975) 146–150; doi:

data_9004089
_publ_section_title
;Rustenburgite and atokite, two new platinum-group minerals from the Merensky
 Reef, Bushveld igneous complex Locality: the Rustenburg and Atok Platinum
 Mines in the Bushveld Igneous complex, South Africa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              146
_journal_page_last               150
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Pd0.486 Pt0.398 Sn0.217'
_chemical_name_mineral           Rustenburgite
_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_length_a                   3.991
_cell_length_b                   3.991
_cell_length_c                   3.991
_cell_formula_units_Z            4
_cell_volume                     63.569
_exptl_crystal_density_diffrn    16.208
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pt.398 Pd.486 Sn.217'
_cod_database_code               9004089
_database_code_amcsd 0005110
Schorl refinement showing composition dependence of the tourmaline structure
Fortier, S.; Donnay, G.; The Canadian Mineralogist 13 (1975) 173–177; doi:

data_9004090
_publ_section_title
;
 Schorl refinement showing composition dependence of the tourmaline structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              173
_journal_page_last               177
_journal_volume                  13
_journal_year                    1975
_chemical_compound_source        'Andreasberg, Harz, Lower Saxony, Germany'
_chemical_formula_sum
'Al6.09 B3 Ca0.17 Fe2.43 H4 K0.01 Li0.06 Mg0.12 Mn0.03 Na0.88 O31 Si6 Ti0.06'
_chemical_name_mineral           Schorl
_space_group_IT_number           160
_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            3
_cell_length_a                   15.992
_cell_length_b                   15.992
_cell_length_c                   7.190
_cell_volume                     1592.447
_database_code_amcsd             0005111
_exptl_crystal_density_diffrn    3.242
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.88 Ca.17 K.01 Fe2.43 Al6.09 Mg.12 Ti.06 Li.06 Mn.03 B3 Si6 (O31 H4)'
_cod_database_code               9004090
Anhydrous sulphates. I: Refinement of the crystal structure of celestite with an appendix on the structure of thenardite
Hawthorne, F. C.; Ferguson, R. B.; The Canadian Mineralogist 13 (1975) 181–187; doi:

data_9004091
_publ_section_title
;
 Anhydrous sulphates. I: Refinement of the crystal structure of celestite
 with an appendix on the structure of thenardite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              181
_journal_page_last               187
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'O4 S Sr'
_chemical_name_mineral           Celestine
_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                   8.360
_cell_length_b                   5.352
_cell_length_c                   6.858
_cell_formula_units_Z            4
_cell_volume                     306.846
_database_code_amcsd             0005112
_exptl_crystal_density_diffrn    3.976
_cod_original_formula_sum        'Sr S O4'
_cod_database_code               9004091
Anhydrous sulphates. I: Refinement of the crystal structure of celestite with an appendix on the structure of thenardite
Hawthorne, F. C.; Ferguson, R. B.; The Canadian Mineralogist 13 (1975) 181–187; doi:

data_9004092
_publ_section_title
;
 Anhydrous sulphates. I: Refinement of the crystal structure of celestite
 with an appendix on the structure of thenardite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              181
_journal_page_last               187
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Na2 O4 S'
_chemical_name_mineral           Thenardite
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.829
_cell_length_b                   12.302
_cell_length_c                   5.868
_cell_formula_units_Z            8
_cell_volume                     709.537
_database_code_amcsd             0005113
_exptl_crystal_density_diffrn    2.659
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Na2 S O4'
_cod_database_code               9004092
The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)
Rowland, J. F.; Gabe, E. J.; Hall, S. R.; The Canadian Mineralogist 13 (1975) 188–196; doi:

data_9004093
_publ_section_title
;
 The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              188
_journal_page_last               196
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Co S Sb'
_chemical_name_mineral           Costibite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 -2bc'
_symmetry_space_group_name_H-M   'P n 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.873
_cell_length_b                   5.852
_cell_length_c                   3.608
_cell_formula_units_Z            2
_cell_volume                     102.889
_database_code_amcsd             0005114
_exptl_crystal_density_diffrn    6.867
_cod_original_formula_sum        'Co Sb S'
_cod_database_code               9004093
The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)
Rowland, J. F.; Gabe, E. J.; Hall, S. R.; The Canadian Mineralogist 13 (1975) 188–196; doi:

data_9004094
_publ_section_title
;
 The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              188
_journal_page_last               196
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Co S Sb'
_chemical_name_mineral           Paracostibite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.842
_cell_length_b                   5.951
_cell_length_c                   11.666
_cell_formula_units_Z            8
_cell_volume                     405.577
_database_code_amcsd             0005115
_exptl_crystal_density_diffrn    6.968
_cod_original_formula_sum        'Co Sb S'
_cod_database_code               9004094
The crystal structure of triclinic weloganite Note: y-coordinate of Sr2 changed.
Grice, J. D.; Perrault, G.; The Canadian Mineralogist 13 (1975) 209–216; doi:

data_9004095
_publ_section_title
;
 The crystal structure of triclinic weloganite
 Note: y-coordinate of Sr2 changed.
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              209
_journal_page_last               216
_journal_volume                  13
_journal_year                    1975
_chemical_compound_source        'St. Michel, Montreal Island, Quebec, Canada'
_chemical_formula_sum            'C6 H6 Ca0.21 Na2 O21 Sr2.79 Zr'
_chemical_name_mineral           Weloganite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                102.72
_cell_angle_beta                 116.65
_cell_angle_gamma                60.66
_cell_formula_units_Z            1
_cell_length_a                   8.966
_cell_length_b                   8.980
_cell_length_c                   6.730
_cell_volume                     422.176
_database_code_amcsd             0005116
_exptl_crystal_density_diffrn    3.163
_cod_original_formula_sum        '(Sr2.79 Ca.21) Zr Na2 C6 O21 H6'
_cod_database_code               9004095
Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite
Hawthorne, F. C.; Ferguson, R. B.; The Canadian Mineralogist 13 (1975) 289–292; doi:

data_9004096
_publ_section_title
;
 Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              289
_journal_page_last               292
_journal_volume                  13
_journal_year                    1975
_chemical_compound_source        'Leopoldshall, East Germany'
_chemical_formula_sum            'Ca O4 S'
_chemical_name_mineral           Anhydrite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-A 2a 2a'
_symmetry_space_group_name_H-M   'A m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.993
_cell_length_b                   6.995
_cell_length_c                   6.245
_cell_volume                     305.481
_database_code_amcsd             0005117
_exptl_crystal_density_diffrn    2.960
_cod_original_formula_sum        'Ca S O4'
_cod_database_code               9004096
Refinement of the crystal structure of cryolite
Hawthorne, F. C.; Ferguson, R. B.; The Canadian Mineralogist 13 (1975) 377–382; doi:

data_9004097
_publ_section_title
;
 Refinement of the crystal structure of cryolite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              377
_journal_page_last               382
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Al F6 Na3'
_chemical_name_mineral           Cryolite
_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                 90.278
_cell_angle_gamma                90
_cell_length_a                   5.4024
_cell_length_b                   5.5959
_cell_length_c                   7.7564
_cell_formula_units_Z            2
_cell_volume                     234.483
_database_code_amcsd             0005118
_exptl_crystal_density_diffrn    2.973
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9004097
The crystal structure of mroseite, CaTeO2(CO3)
Fischer, R.; Pertlik, F.; Zemann, J.; The Canadian Mineralogist 13 (1975) 383–387; doi:

data_9004098
_publ_section_title
;
 The crystal structure of mroseite, CaTeO2(CO3)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               387
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'C Ca O5 Te'
_chemical_name_mineral           Mroseite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.988
_cell_length_b                   11.201
_cell_length_c                   10.566
_cell_formula_units_Z            8
_cell_volume                     827.028
_database_code_amcsd             0005119
_exptl_crystal_density_diffrn    4.171
_cod_original_formula_sum        'Ca Te C O5'
_cod_database_code               9004098
Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O Note: x-coordinate of Na1 changed.
Le Page, Y.; Perrault, G.; The Canadian Mineralogist 14 (1976) 132–138; doi:

data_9004099
_publ_section_title
;
 Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O
 Note: x-coordinate of Na1 changed.
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              132
_journal_page_last               138
_journal_volume                  14
_journal_year                    1976
_chemical_formula_sum
'Ca0.83 Cu0.01 Fe0.08 H14 K Mg0.04 Na Nb0.08 O32 Si10 Ti0.06 Zn0.02 Zr1.86'
_chemical_name_mineral           Lemoynite
_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                 104.59
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.384
_cell_length_b                   15.947
_cell_length_c                   18.601
_cell_volume                     2980.880
_database_code_amcsd             0005120
_exptl_crystal_density_diffrn    2.428
_cod_original_formula_sum
'(Zr1.86 Nb.08 Ti.06) Si10 Ca.83 Fe.08 Zn.02 Cu.01 Mg.04 Na K O32 H14'
_cod_database_code               9004099
Refinement of the crystal structure of dyscrasite, and its implications for the structure of allargentum
Scott, J. D.; The Canadian Mineralogist 14 (1976) 139–142; doi:

data_9004100
_publ_section_title
;
 Refinement of the crystal structure of dyscrasite, and its implications
 for the structure of allargentum
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              139
_journal_page_last               142
_journal_volume                  14
_journal_year                    1976
_chemical_formula_sum            'Ag3 Sb'
_chemical_name_mineral           Dyscrasite
_space_group_IT_number           25
_symmetry_space_group_name_Hall  'P 2 -2'
_symmetry_space_group_name_H-M   'P m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.008
_cell_length_b                   4.828
_cell_length_c                   5.214
_cell_formula_units_Z            1
_cell_volume                     75.721
_database_code_amcsd             0005121
_exptl_crystal_density_diffrn    9.766
_cod_original_formula_sum        'Sb Ag3'
_cod_database_code               9004100