LMucko/crystallography-open-database huggingface dataset:
Structure of davyne and implications for stacking faults Sample BM1907,210
Hassan, I.; Grundy, H. D.; The Canadian Mineralogist 28 (1990) 341–349; doi:

data_9004215
_publ_section_title
;
 Structure of davyne and implications for stacking faults
 Sample BM1907,210
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              341
_journal_page_last               349
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Al3.09 Ca Cl K0.84 Na1.65 O12 Si2.91'
_chemical_name_mineral           Davyne
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.854
_cell_length_b                   12.854
_cell_length_c                   5.357
_cell_formula_units_Z            2
_cell_volume                     766.529
_database_code_amcsd             0005240
_exptl_crystal_density_diffrn    2.181
_cod_original_formula_sum        'O12 (Al3.09 Si2.91) Cl Ca Na1.65 K.84'
_cod_database_code               9004215
Structure of davyne and implications for stacking faults Sample 1469
Hassan, I.; Grundy, H. D.; The Canadian Mineralogist 28 (1990) 341–349; doi:

data_9004216
_publ_section_title
;
 Structure of davyne and implications for stacking faults
 Sample 1469
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              341
_journal_page_last               349
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Al3 Ca0.97 Cl K1.29 Na1.53 O13.72 S0.25 Si3'
_chemical_name_mineral           Davyne
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.793
_cell_length_b                   12.793
_cell_length_c                   5.367
_cell_formula_units_Z            2
_cell_volume                     760.689
_database_code_amcsd             0005241
_exptl_crystal_density_diffrn    2.413
_cod_original_formula_sum        'O13.72 Si3 Al3 Cl Ca.97 Na1.53 K1.29 S.25'
_cod_database_code               9004216
The crystal structure of szymanskiite, a partly disordered (Hg-Hg)2+, (Ni,Mg)2+ hydronium-carbonate-hydroxide-hydrate
Szymanski, J. T.; Roberts, A. C.; The Canadian Mineralogist 28 (1990) 709–718; doi:

data_9004217
_publ_section_title
;
 The crystal structure of szymanskiite, a partly disordered (Hg-Hg)2+,
 (Ni,Mg)2+ hydronium-carbonate-hydroxide-hydrate
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              709
_journal_page_last               718
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'C6 Hg8 Mg0.96 Ni2.04 O29.4'
_chemical_name_mineral           Szymanskiite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   17.3984
_cell_length_b                   17.3984
_cell_length_c                   6.0078
_cell_formula_units_Z            2
_cell_volume                     1574.943
_database_code_amcsd             0005242
_exptl_crystal_density_diffrn    4.829
_cod_original_formula_sum        'Hg8 (Ni2.04 Mg.96) O29.4 C6'
_cod_database_code               9004217
Structure and twinning of cobaltite
Fleet, M. E.; Burns, P. C.; The Canadian Mineralogist 28 (1990) 719–723; doi:

data_9004218
_publ_section_title
;
 Structure and twinning of cobaltite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              719
_journal_page_last               723
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'As Co S'
_chemical_name_mineral           Cobaltite
_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                   5.5833
_cell_length_b                   5.5892
_cell_length_c                   5.5812
_cell_formula_units_Z            4
_cell_volume                     174.168
_database_code_amcsd             0005243
_exptl_crystal_density_diffrn    6.328
_cod_original_formula_sum        'Co As S'
_cod_database_code               9004218
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004219
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Cu0.5 Fe0.5 Pt'
_chemical_name_mineral           Tulameenite
_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                   2.7477
_cell_length_b                   2.7477
_cell_length_c                   3.5870
_cell_formula_units_Z            1
_cell_volume                     27.081
_database_code_amcsd             0005244
_exptl_crystal_density_diffrn    15.622
_cod_original_formula_sum        '(Cu.5 Fe.5) Pt'
_cod_database_code               9004219
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004220
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Fe0.5 Ni0.5 Pt'
_chemical_name_mineral           Ferronickelplatinum
_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                   2.731
_cell_length_b                   2.731
_cell_length_c                   3.641
_cell_formula_units_Z            1
_cell_volume                     27.156
_database_code_amcsd             0005245
_exptl_crystal_density_diffrn    15.431
_cod_original_formula_sum        '(Ni.5 Fe.5) Pt'
_cod_database_code               9004220
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals Note: cell edges taken from Handbook of Mineralogy
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004221
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
 Note: cell edges taken from Handbook of Mineralogy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Hg Pd'
_chemical_name_mineral           Potarite
_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                   3.026
_cell_length_b                   3.026
_cell_length_c                   3.702
_cell_formula_units_Z            1
_cell_volume                     33.898
_database_code_amcsd             0005246
_exptl_crystal_density_diffrn    15.039
_cod_database_code               9004221
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004222
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Fe Pt'
_chemical_name_mineral           Tetraferroplatinum
_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                   2.7235
_cell_length_b                   2.7235
_cell_length_c                   3.720
_cell_formula_units_Z            1
_cell_volume                     27.593
_database_code_amcsd             0005247
_exptl_crystal_density_diffrn    15.101
_cod_database_code               9004222
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004223
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Au Cu'
_chemical_name_mineral           Tetraauricupride
_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                   2.800
_cell_length_b                   2.800
_cell_length_c                   3.670
_cell_formula_units_Z            1
_cell_volume                     28.773
_database_code_amcsd             0005248
_exptl_crystal_density_diffrn    15.035
_cod_database_code               9004223
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals Note: cell edges taken from Handbook of Mineralogy
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004224
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
 Note: cell edges taken from Handbook of Mineralogy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Bi Pd'
_chemical_name_mineral           Sobolevskite
_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                   4.23
_cell_length_b                   4.23
_cell_length_c                   5.69
_cell_formula_units_Z            2
_cell_volume                     88.171
_database_code_amcsd             0005249
_exptl_crystal_density_diffrn    11.880
_cod_database_code               9004224
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals Note: Fe and N positions switched to match formula Note: cell edge taken from Handbook of Mineralogy
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004225
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
 Note: Fe and N positions switched to match formula
 Note: cell edge taken from Handbook of Mineralogy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4 N'
_chemical_name_mineral           Roaldite
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.79
_cell_length_b                   3.79
_cell_length_c                   3.79
_cell_formula_units_Z            1
_cell_volume                     54.440
_database_code_amcsd             0005250
_exptl_crystal_density_diffrn    7.241
_cod_database_code               9004225
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004226
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As0.139 Cu0.415 Fe0.023 Se0.423'
_chemical_name_mineral           Mgriite
_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                   5.758
_cell_length_b                   5.758
_cell_length_c                   5.758
_cell_formula_units_Z            4
_cell_volume                     190.904
_database_code_amcsd             0005251
_exptl_crystal_density_diffrn    4.973
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Se.423 Cu.415 As.139 Fe.023)'
_cod_database_code               9004226
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004227
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Bi0.01 Ni0.69 Pd0.31 Sb0.49 Te0.5'
_chemical_name_mineral           Hexatestibiopanickelite
_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                   3.983
_cell_length_b                   3.983
_cell_length_c                   5.339
_cell_formula_units_Z            2
_cell_volume                     73.352
_database_code_amcsd             0005252
_exptl_crystal_density_diffrn    9.011
_cod_original_formula_sum        '(Ni.69 Pd.31) (Te.5 Sb.49 Bi.01)'
_cod_database_code               9004227
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004228
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Au3 Cu'
_chemical_name_mineral           Bogdanovite
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0876
_cell_length_b                   4.0876
_cell_length_c                   4.0876
_cell_formula_units_Z            1
_cell_volume                     68.298
_database_code_amcsd             0005253
_exptl_crystal_density_diffrn    15.912
_cod_database_code               9004228
Revised unit cell dimensions, space group, and chemical formua of some metallic minerals
Bayliss, P.; The Canadian Mineralogist 28 (1990) 751–755; doi:

data_9004229
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formua of some metallic minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              751
_journal_page_last               755
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Co Fe'
_chemical_name_mineral           Wairauite
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.857
_cell_length_b                   2.857
_cell_length_c                   2.857
_cell_formula_units_Z            1
_cell_volume                     23.320
_database_code_amcsd             0005254
_exptl_crystal_density_diffrn    8.173
_cod_database_code               9004229
Phurcalite from Perus, San Paulo, Brazil, and redetermination of its crystal structure
Atencio, D.; Neumann, R.; Silva, A. J. G. C.; Mascarenhas, Y. P.; The Canadian Mineralogist 29 (1991) 95–105; doi:

data_9004230
_publ_section_title
;
 Phurcalite from Perus, San Paulo, Brazil, and redetermination of its
 crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              95
_journal_page_last               105
_journal_volume                  29
_journal_year                    1991
_chemical_compound_source        'Perus, San Paulo, Brazil'
_chemical_formula_sum            'Ca2 O23 P2 U3'
_chemical_name_mineral           Phurcalite
_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                   17.415
_cell_length_b                   16.035
_cell_length_c                   13.598
_cell_formula_units_Z            8
_cell_volume                     3797.235
_database_code_amcsd             0005255
_exptl_crystal_density_diffrn    4.283
_cod_original_formula_sum        'U3 Ca2 P2 O23'
_cod_database_code               9004230
The crystal structure of hauyne at 293 and 153 K Sample: at T = 153 K
Hassan, I.; Grundy, H. D.; The Canadian Mineralogist 29 (1991) 123–130; doi:

data_9004231
_publ_section_title
;
 The crystal structure of hauyne at 293 and 153 K
 Sample: at T = 153 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              123
_journal_page_last               130
_journal_volume                  29
_journal_year                    1991
_chemical_compound_source        'Valle Biacheela, Sacrafano, Italy'
_chemical_formula_sum            'Al3 Ca3.6 K0.8 Na2.16 O21 S0.76 Si3'
_chemical_name_mineral           Hauyne
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1097
_cell_length_b                   9.1097
_cell_length_c                   9.1097
_cell_volume                     755.983
_database_code_amcsd             0005256
_diffrn_ambient_temperature      153
_exptl_crystal_density_diffrn    3.298
_cod_depositor_comments
;
 Fixing _atom_site_label values from 'Ol' to 'O1'.

 Antanas Vaitkus
 2013-04-02
;
_cod_original_formula_sum        'Al3 Si3 O21 K.8 Ca3.6 Na2.16 S.76'
_cod_database_code               9004231
The crystal structure of hauyne at 293 and 153 K Sample: at T = 293 K
Hassan, I.; Grundy, H. D.; The Canadian Mineralogist 29 (1991) 123–130; doi:

data_9004232
_publ_section_title
;
 The crystal structure of hauyne at 293 and 153 K
 Sample: at T = 293 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              123
_journal_page_last               130
_journal_volume                  29
_journal_year                    1991
_chemical_compound_source        'Valle Biacheela, Sacrafano, Italy'
_chemical_formula_sum            'Al3 Ca1.2 K0.8 Na2.16 O15 S0.76 Si3'
_chemical_name_mineral           Hauyne
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1164
_cell_length_b                   9.1164
_cell_length_c                   9.1164
_cell_volume                     757.653
_database_code_amcsd             0005257
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.449
_cod_depositor_comments
;
 Fixing _atom_site_label values from 'Ol' to 'O1'.

 Antanas Vaitkus
 2013-04-02
;
_cod_original_formula_sum        'Al3 Si3 O15 K.8 Ca1.2 Na2.16 S.76'
_cod_database_code               9004232
The incorporation of alkalis in beryl: multi-nuclear MAS NMR and crystal-structure study Sample: SHEE-1-6 Locality: SHEE-1 pegmatite dike, eastern end of Shatford Lake, southeastern Manitoba, Canada
Sherriff, B. L.; Grundy, H. D.; Hartman, J. S.; Hawthorne, F. C.; Cerny, P.; The Canadian Mineralogist 29 (1991) 271–285; doi:

data_9004233
_publ_section_title
;The incorporation of alkalis in beryl: multi-nuclear MAS NMR and
 crystal-structure study Sample: SHEE-1-6 Locality: SHEE-1 pegmatite dike,
 eastern end of Shatford Lake, southeastern Manitoba, Canada
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              271
_journal_page_last               285
_journal_volume                  29
_journal_year                    1991
_chemical_compound_source
'SHEE-1 pegmatite dike, eastern end of Shatford Lake, southeastern Manitoba, Canada'
_chemical_formula_sum            'Al1.96 Be3 Fe0.04 Na0.03 O18 Si6'
_chemical_name_mineral           Beryl
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.206
_cell_length_b                   9.206
_cell_length_c                   9.185
_cell_formula_units_Z            2
_cell_volume                     674.143
_database_code_amcsd             0005258
_exptl_crystal_density_diffrn    2.657
_cod_original_formula_sum        'Si6 Be3 (Al1.96 Fe.04) O18 Na.03'
_cod_database_code               9004233