LMucko/crystallography-open-database huggingface dataset:
The crystal structure of rossite
Ahmed, F. R.; Barnes, W. H.; The Canadian Mineralogist 7 (1963) 713–726; doi:

data_9004062
_publ_section_title
;
 The crystal structure of rossite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              713
_journal_page_last               726
_journal_volume                  7
_journal_year                    1963
_chemical_formula_sum            'Ca O10 V2'
_chemical_name_mineral           Rossite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.53
_cell_angle_beta                 114.97
_cell_angle_gamma                103.38
_cell_length_a                   8.534
_cell_length_b                   8.556
_cell_length_c                   7.015
_cell_formula_units_Z            2
_cell_volume                     425.242
_exptl_crystal_density_diffrn    2.358
_cod_original_formula_sum        'Ca V2 O10'
_cod_database_code               9004062
The structures of the minerals of the descloizite and adelite groups: V - descloizite and conichalcite (part 3). The structure of descloizite
Qurashi, M. M.; Barnes, W. H.; The Canadian Mineralogist 8 (1964) 23–39; doi:

data_9004063
_publ_section_title
;
 The structures of the minerals of the descloizite and adelite groups:
 V - descloizite and conichalcite (part 3). The structure of descloizite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  8
_journal_year                    1964
_chemical_formula_sum            'H O5 Pb V Zn'
_chemical_name_mineral           Descloizite
_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_formula_units_Z            4
_cell_length_a                   7.60
_cell_length_b                   6.07
_cell_length_c                   9.44
_cell_volume                     435.486
_database_code_amcsd             0005082
_exptl_crystal_density_diffrn    6.170
_cod_original_formula_sum        'Pb Zn V O5 H'
_cod_database_code               9004063
The crystal structure of dawsonite NaAl(CO3)(OH)2
Frueh, A. J.; Golightly, J. P.; The Canadian Mineralogist 9 (1967) 51–56; doi:

data_9004064
_publ_section_title
;
 The crystal structure of dawsonite NaAl(CO3)(OH)2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              51
_journal_page_last               56
_journal_volume                  9
_journal_year                    1967
_chemical_compound_source        'McGill University, Montreal, Quebec, Canada'
_chemical_formula_sum            'C H2 Al Na O5'
_chemical_name_mineral           Dawsonite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2c 2'
_symmetry_space_group_name_H-M   'I m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.710
_cell_length_b                   10.411
_cell_length_c                   5.58
_cell_volume                     389.807
_database_code_amcsd             0005083
_exptl_crystal_density_diffrn    2.454
_cod_original_formula_sum        'Na Al C O5 H2'
_cod_database_code               9004064
La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 1
Perrault, G.; The Canadian Mineralogist 9 (1968) 383–402; doi:

data_9004065
_publ_section_title
;La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.
 Sample: No. 1
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum            'Ca2 F Nb2 O6'
_chemical_name_mineral           Pyrochlore
_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                   10.43
_cell_length_b                   10.43
_cell_length_c                   10.43
_cell_formula_units_Z            8
_cell_volume                     1134.627
_database_code_amcsd             0005084
_exptl_crystal_density_diffrn    4.460
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Nb2 Ca2 O6 F'
_cod_database_code               9004065
La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 2
Perrault, G.; The Canadian Mineralogist 9 (1968) 383–402; doi:

data_9004066
_publ_section_title
;La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.
 Sample: No. 2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum            'Ca2 F Nb2 O6'
_chemical_name_mineral           Pyrochlore
_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                   10.393
_cell_length_b                   10.393
_cell_length_c                   10.393
_cell_formula_units_Z            8
_cell_volume                     1122.594
_database_code_amcsd             0005085
_exptl_crystal_density_diffrn    4.508
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Nb2 Ca2 O6 F'
_cod_database_code               9004066
La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 3
Perrault, G.; The Canadian Mineralogist 9 (1968) 383–402; doi:

data_9004067
_publ_section_title
;La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.
 Sample: No. 3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum            'Ca2 F Nb2 O6'
_chemical_name_mineral           Pyrochlore
_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                   10.428
_cell_length_b                   10.428
_cell_length_c                   10.428
_cell_formula_units_Z            8
_cell_volume                     1133.974
_database_code_amcsd             0005086
_exptl_crystal_density_diffrn    4.463
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Nb2 Ca2 O6 F'
_cod_database_code               9004067
La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 4
Perrault, G.; The Canadian Mineralogist 9 (1968) 383–402; doi:

data_9004068
_publ_section_title
;La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.
 Sample: No. 4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum            'Ca2 F Nb2 O6'
_chemical_name_mineral           Pyrochlore
_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                   10.3947
_cell_length_b                   10.3947
_cell_length_c                   10.3947
_cell_formula_units_Z            8
_cell_volume                     1123.145
_database_code_amcsd             0005087
_exptl_crystal_density_diffrn    4.506
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Nb2 Ca2 O6 F'
_cod_database_code               9004068
La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 5
Perrault, G.; The Canadian Mineralogist 9 (1968) 383–402; doi:

data_9004069
_publ_section_title
;La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.
 Sample: No. 5
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum            'Ca2 F Nb2 O6'
_chemical_name_mineral           Pyrochlore
_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                   10.4205
_cell_length_b                   10.4205
_cell_length_c                   10.4205
_cell_formula_units_Z            8
_cell_volume                     1131.529
_database_code_amcsd             0005088
_exptl_crystal_density_diffrn    4.473
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Nb2 Ca2 O6 F'
_cod_database_code               9004069
Allargentum, redefined
Petruk, W.; Cabri, L. J.; Harris, D. C.; Stewart, J. M.; Clark, L. A.; The Canadian Mineralogist 10 (1970) 163–172; doi:

data_9004070
_publ_section_title
;
 Allargentum, redefined
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              163
_journal_page_last               172
_journal_volume                  10
_journal_year                    1970
_chemical_compound_source        'Hi-Ho mine, Cobalt, Ontario, Canada'
_chemical_formula_sum            'Ag0.865 Hg0.001 Sb0.134'
_chemical_name_mineral           Allargentum
_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_length_a                   2.952
_cell_length_b                   2.952
_cell_length_c                   4.773
_cell_formula_units_Z            2
_cell_volume                     36.021
_database_code_amcsd             0005089
_exptl_crystal_density_diffrn    10.125
_cod_original_formula_sum        '(Ag.865 Sb.134 Hg.001)'
_cod_database_code               9004070
Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7
Louisnathan S J; The Canadian Mineralogist 10 (1971) 822–837; doi:

data_9004071
_publ_section_title
;
 Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              822
_journal_page_last               837
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'Al0.729 Ca0.968 O5.265 Si0.488'
_chemical_name_mineral           Gehlenite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.716
_cell_length_b                   7.716
_cell_length_c                   5.089
_cell_formula_units_Z            2
_cell_volume                     302.982
_cod_original_formula_sum        'Ca.968 Al.729 Si.488 O5.265'
_cod_database_code               9004071
The crystal structure of a titaniferous clinohumite
Kocman, V.; Rucklidge, J. C.; The Canadian Mineralogist 12 (1973) 39–45; doi:

data_9004072
_publ_section_title
;
 The crystal structure of a titaniferous clinohumite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              39
_journal_page_last               45
_journal_volume                  12
_journal_year                    1973
_chemical_formula_sum            'F0.4 Fe1.51 H1.08 Mg7.23 O17.6 Si4 Ti0.26'
_chemical_name_mineral           Hydroxylclinohumite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                100.90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.753
_cell_length_b                   10.269
_cell_length_c                   13.724
_cell_volume                     657.764
_database_code_amcsd             0005091
_exptl_crystal_density_diffrn    3.409
_cod_original_formula_sum        'Mg7.23 Fe1.51 Ti.26 Si4 O17.6 F.4 H1.08'
_cod_database_code               9004072
The crystal structure of michenerite, PdBiTe
Childs, J. D.; Hall, S. R.; The Canadian Mineralogist 12 (1973) 61–65; doi:

data_9004073
_publ_section_title
;
 The crystal structure of michenerite, PdBiTe
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              61
_journal_page_last               65
_journal_volume                  12
_journal_year                    1973
_chemical_formula_sum            'Bi0.88 Pd Sb0.11 Te'
_chemical_name_mineral           Michenerite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.642
_cell_length_b                   6.642
_cell_length_c                   6.642
_cell_formula_units_Z            4
_cell_volume                     293.020
_database_code_amcsd             0005092
_exptl_crystal_density_diffrn    9.777
_cod_original_formula_sum        'Pd Te Bi.88 Sb.11'
_cod_database_code               9004073
The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with the refined structure of pentlandite (Fe,Ni)9S8
Hall, S. R.; Stewart, J. M.; The Canadian Mineralogist 12 (1973) 169–177; doi:

data_9004074
_publ_section_title
;
 The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with
 the refined structure of pentlandite (Fe,Ni)9S8
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              169
_journal_page_last               177
_journal_volume                  12
_journal_year                    1973
_chemical_formula_sum            'Ag Fe4.8 Ni3.2 S8'
_chemical_name_mineral           Argentopentlandite
_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                   10.521
_cell_length_b                   10.521
_cell_length_c                   10.521
_cell_formula_units_Z            4
_cell_volume                     1164.585
_database_code_amcsd             0005093
_exptl_crystal_density_diffrn    4.678
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ag (Fe4.8 Ni3.2) S8'
_cod_database_code               9004074
The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with the refined structure of pentlandite (Fe,Ni)9S8
Hall, S. R.; Stewart, J. M.; The Canadian Mineralogist 12 (1973) 169–177; doi:

data_9004075
_publ_section_title
;
 The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with
 the refined structure of pentlandite (Fe,Ni)9S8
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              169
_journal_page_last               177
_journal_volume                  12
_journal_year                    1973
_chemical_formula_sum            'Fe4.23 Ni4.77 S8'
_chemical_name_mineral           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                   10.044
_cell_length_b                   10.044
_cell_length_c                   10.044
_cell_formula_units_Z            4
_cell_volume                     1013.258
_database_code_amcsd             0005094
_exptl_crystal_density_diffrn    5.065
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Fe4.23 Ni4.77) S8'
_cod_database_code               9004075
Crystal chemistry of natural pentlandite
Rajamani, V.; Prewitt, C. T.; The Canadian Mineralogist 12 (1973) 178–187; doi:

data_9004076
_publ_section_title
;
 Crystal chemistry of natural pentlandite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              178
_journal_page_last               187
_journal_volume                  12
_journal_year                    1973
_chemical_compound_source        'Frood Mine, Ontario, Canada'
_chemical_formula_sum            'Fe3.98 Ni4.94 S8'
_chemical_name_mineral           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                   10.038
_cell_length_b                   10.038
_cell_length_c                   10.038
_cell_formula_units_Z            4
_cell_volume                     1011.443
_database_code_amcsd             0005095
_exptl_crystal_density_diffrn    5.048
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9004076
Crystal chemistry of natural pentlandite
Rajamani, V.; Prewitt, C. T.; The Canadian Mineralogist 12 (1973) 178–187; doi:

data_9004077
_publ_section_title
;
 Crystal chemistry of natural pentlandite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              178
_journal_page_last               187
_journal_volume                  12
_journal_year                    1973
_chemical_compound_source        'Outokumpu, Finland'
_chemical_formula_sum            'Fe3.98 Ni4.94 S8'
_chemical_name_mineral           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                   9.977
_cell_length_b                   9.977
_cell_length_c                   9.977
_cell_formula_units_Z            4
_cell_volume                     993.116
_database_code_amcsd             0005096
_exptl_crystal_density_diffrn    5.141
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9004077
Crystal structure refinement of millerite (B-NiS)
Grice, J. D.; Ferguson, R. B.; The Canadian Mineralogist 12 (1974) 248–252; doi:

data_9004078
_publ_section_title
;
 Crystal structure refinement of millerite (B-NiS)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              248
_journal_page_last               252
_journal_volume                  12
_journal_year                    1974
_chemical_formula_sum            'Ni S'
_chemical_name_mineral           Millerite
_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_length_a                   9.6071
_cell_length_b                   9.6071
_cell_length_c                   3.1434
_cell_formula_units_Z            9
_cell_volume                     251.255
_database_code_amcsd             0005097
_exptl_crystal_density_diffrn    5.398
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9004078
The crystal structure of millerite
Rajamani, V.; Prewitt, C. T.; The Canadian Mineralogist 12 (1974) 253–257; doi:

data_9004079
_publ_section_title
;
 The crystal structure of millerite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              253
_journal_page_last               257
_journal_volume                  12
_journal_year                    1974
_chemical_formula_sum            'Ni S'
_chemical_name_mineral           Millerite
_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_length_a                   9.6190
_cell_length_b                   9.6190
_cell_length_c                   3.1499
_cell_formula_units_Z            9
_cell_volume                     252.399
_exptl_crystal_density_diffrn    5.374
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9004079
_cod_duplicate_entry 5000114
The crystal structure of antimonian hauchecornite from Westphalia
Kocman, V.; Nuffield, E. W.; The Canadian Mineralogist 12 (1974) 269–274; doi:

data_9004080
_publ_section_title
;
 The crystal structure of antimonian hauchecornite from Westphalia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              269
_journal_page_last               274
_journal_volume                  12
_journal_year                    1974
_chemical_compound_source        Westphalia
_chemical_formula_sum            'Bi1.3 Ni9 S8 Sb0.7'
_chemical_name_mineral           Hauchecornite
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.300
_cell_length_b                   7.300
_cell_length_c                   5.402
_cell_formula_units_Z            1
_cell_volume                     287.873
_database_code_amcsd             0005099
_exptl_crystal_density_diffrn    6.585
_cod_original_formula_sum        'Bi1.3 Sb.7 Ni9 S8'
_cod_database_code               9004080
The crystal structures of three Canadian vesuvianites Sample: #1 Great Slave Lake
Rucklidge J C; Kocman V; Whitlow S H; Gabe E J; The Canadian Mineralogist 13 (1975) 15–21; doi:

data_9004081
_publ_section_title
;
 The crystal structures of three Canadian vesuvianites
 Sample: #1 Great Slave Lake
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              15
_journal_page_last               21
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Al5.5 Ca9.46 F1.56 Fe1.098 H4 O37.44 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                   15.516
_cell_length_b                   15.516
_cell_length_c                   11.769
_cell_volume                     2833.343
_database_code_amcsd             0005100
_exptl_crystal_density_diffrn    3.453
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum        'Si9 Ca9.46 Fe1.098 Al5.5 O37.44 F1.56 H4'
_cod_database_code               9004081