LMucko/crystallography-open-database huggingface dataset:
The crystal structure of nordstromite CuPb3Bi7(S,Se)14, from Falun, Sweden: A member of the junoite homologous series
Mumme, W. G.; The Canadian Mineralogist 18 (1980) 343–352; doi:

data_9004157
_publ_section_title
;
 The crystal structure of nordstromite CuPb3Bi7(S,Se)14, from Falun,
 Sweden: A member of the junoite homologous series
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              343
_journal_page_last               352
_journal_volume                  18
_journal_year                    1980
_chemical_compound_source        'Falun, Sweden'
_chemical_formula_sum            'Bi7.92 Cu Pb2.08 S10.8 Se3.2'
_chemical_name_mineral           Nordstromite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.3
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.97
_cell_length_b                   4.11
_cell_length_c                   17.62
_cell_volume                     1297.692
_database_code_amcsd             0005180
_exptl_crystal_density_diffrn    7.034
_cod_original_formula_sum        'Bi7.92 Pb2.08 Cu S10.8 Se3.2'
_cod_database_code               9004157
Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate
Ghose, S.; Wan, C.; Chao, G. Y.; The Canadian Mineralogist 18 (1980) 503–509; doi:

data_9004158
_publ_section_title
;
 Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              503
_journal_page_last               509
_journal_volume                  18
_journal_year                    1980
_chemical_formula_sum            'Ca0.2 Cl0.75 H4.37 Na4.8 O20.37 Si6 Zr2'
_chemical_name_mineral           Petarasite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.214
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.7956
_cell_length_b                   14.4928
_cell_length_c                   6.6229
_cell_volume                     952.316
_database_code_amcsd             0005181
_exptl_crystal_density_diffrn    2.881
_cod_original_formula_sum        'Na4.8 Ca.2 Zr2 Si6 O20.37 Cl.75 H4.37'
_cod_database_code               9004158
The structure and chemistry of galkhaite, a mercury sulfosalt containing Cs and Tl
Chen, T. T.; Szymanski, J. T.; The Canadian Mineralogist 19 (1981) 571–581; doi:

data_9004159
_publ_section_title
;
 The structure and chemistry of galkhaite, a mercury sulfosalt containing
 Cs and Tl
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              571
_journal_page_last               581
_journal_volume                  19
_journal_year                    1981
_chemical_compound_source        'Getchell mine, Humboldt County, Nevada, USA'
_chemical_formula_sum
'As3.932 Cs0.595 Cu0.864 Fe0.03 Hg4.224 S12 Sb0.068 Tl0.304 Zn0.528'
_chemical_name_mineral           Galkhaite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.365
_cell_length_b                   10.365
_cell_length_c                   10.365
_cell_volume                     1113.545
_database_code_amcsd             0005182
_exptl_crystal_density_diffrn    5.271
_cod_original_formula_sum
'Hg4.224 Cu.864 Zn.528 Tl.304 Fe.03 Cs.595 (As3.932 Sb.068) S12'
_cod_database_code               9004159
Phases and phase relations in the system Pd-Pt-Sn Note: sample is synthetic
Shelton, K. L.; Merewether, P. A.; Skinner, B. J.; The Canadian Mineralogist 19 (1981) 599–605; doi:

data_9004160
_publ_section_title
;
 Phases and phase relations in the system Pd-Pt-Sn
 Note: sample is synthetic
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              599
_journal_page_last               605
_journal_volume                  19
_journal_year                    1981
_chemical_formula_sum            'Pd3 Sn'
_chemical_name_mineral           Atokite
_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                   3.967
_cell_length_b                   3.967
_cell_length_c                   3.967
_cell_formula_units_Z            1
_cell_volume                     62.429
_database_code_amcsd             0005183
_exptl_crystal_density_diffrn    11.649
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_database_code               9004160
A mineralogical study and crystal-structure determination of nonmetamict ekanite, ThCa2Si8O20 Note: Changed O2-x coordinate to match reported bond lengths
Szymanski, J. T.; Owens, D. R.; Roberts, A. C.; Ansell, H. G.; Chao, G. Y.; The Canadian Mineralogist 20 (1982) 65–75; doi:

data_9004161
_publ_section_title
;
 A mineralogical study and crystal-structure determination of
 nonmetamict ekanite, ThCa2Si8O20
 Note: Changed O2-x coordinate to match reported bond lengths
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              65
_journal_page_last               75
_journal_volume                  20
_journal_year                    1982
_chemical_formula_sum            'Ca1.92 Fe0.06 Mn0.02 O20 Si8 Th0.95 U0.05'
_chemical_name_mineral           Ekanite
_space_group_IT_number           97
_symmetry_space_group_name_Hall  'I 4 2'
_symmetry_space_group_name_H-M   'I 4 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.483
_cell_length_b                   7.483
_cell_length_c                   14.893
_cell_formula_units_Z            2
_cell_volume                     833.938
_database_code_amcsd             0005184
_exptl_crystal_density_diffrn    3.419
_cod_original_formula_sum        '(Th.95 U.05) (Ca1.92 Fe.06 Mn.02) Si8 O20'
_cod_database_code               9004161
The crystal structure of a carbonate-rich cancrinite Note: Si-y coordinate changed to match reported bond lengths
Grundy, H. D.; Hassan, I.; The Canadian Mineralogist 20 (1982) 239–251; doi:

data_9004162
_publ_section_title
;
 The crystal structure of a carbonate-rich cancrinite
 Note: Si-y coordinate changed to match reported bond lengths
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              239
_journal_page_last               251
_journal_volume                  20
_journal_year                    1982
_chemical_formula_sum            'C0.76 H0.99 Al3 Ca0.75 Na3.01 O15.27 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.590
_cell_length_b                   12.590
_cell_length_c                   5.117
_cell_volume                     702.421
_database_code_amcsd             0005185
_exptl_crystal_density_diffrn    2.453
_cod_original_formula_sum        'Na3.01 Ca.75 Si3 Al3 O15.27 C.76 H.99'
_cod_database_code               9004162
The crystal structure of hydrodresserite BaAl2(CO3)2(OH)4.3H2O
Szymanski, J. T.; The Canadian Mineralogist 20 (1982) 253–262; doi:

data_9004163
_publ_section_title
;
 The crystal structure of hydrodresserite BaAl2(CO3)2(OH)4.3H2O
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              253
_journal_page_last               262
_journal_volume                  20
_journal_year                    1982
_chemical_formula_sum            'C2 H10 Al2 Ba O13'
_chemical_name_mineral           Hydrodresserite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.695
_cell_angle_beta                 92.273
_cell_angle_gamma                115.643
_cell_length_a                   9.7545
_cell_length_b                   10.4069
_cell_length_c                   5.6322
_cell_formula_units_Z            2
_cell_volume                     510.712
_database_code_amcsd             0005186
_exptl_crystal_density_diffrn    2.818
_cod_original_formula_sum        'Ba Al2 C2 O13 H10'
_cod_database_code               9004163
The crystal structure of boggildite
Hawthorne, F. C.; The Canadian Mineralogist 20 (1982) 263–270; doi:

data_9004164
_publ_section_title
;
 The crystal structure of boggildite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              263
_journal_page_last               270
_journal_volume                  20
_journal_year                    1982
_chemical_formula_sum            'Al2 F9 Na2 O4 P Sr2'
_chemical_name_mineral           Boggildite
_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                 107.53
_cell_angle_gamma                90
_cell_length_a                   5.251
_cell_length_b                   10.464
_cell_length_c                   18.577
_cell_formula_units_Z            4
_cell_volume                     973.337
_database_code_amcsd             0005187
_exptl_crystal_density_diffrn    3.693
_cod_original_formula_sum        'Sr2 P Al2 Na2 O4 F9'
_cod_database_code               9004164
A crystal structure refinement of synthetic brannerite UTi2O6 and its bearing on rate of alkaline-carbonate leaching of brannerite in ore
Szymanski, J. T.; Scott, J. D.; The Canadian Mineralogist 20 (1982) 271–280; doi:

data_9004165
_publ_section_title
;A crystal structure refinement of synthetic brannerite UTi2O6 and its bearing
 on rate of alkaline-carbonate leaching of brannerite in ore
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              271
_journal_page_last               280
_journal_volume                  20
_journal_year                    1982
_chemical_formula_sum            'O6 Ti2 U'
_chemical_name_mineral           Brannerite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.957
_cell_angle_gamma                90
_cell_length_a                   9.8123
_cell_length_b                   3.7697
_cell_length_c                   6.9253
_cell_formula_units_Z            2
_cell_volume                     224.138
_database_code_amcsd             0005188
_exptl_crystal_density_diffrn    6.368
_cod_original_formula_sum        'U Ti2 O6'
_cod_database_code               9004165
The pyrosmalite group of minerals I. Structure refinement of Manganpyrosmalite Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan
Kato T; Takeuchi Y; The Canadian Mineralogist 21 (1983) 1–6; doi:

data_9004166
_publ_section_title
;
 The pyrosmalite group of minerals I. Structure refinement of
 Manganpyrosmalite
 Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1
_journal_page_last               6
_journal_volume                  21
_journal_year                    1983
_chemical_formula_sum            'Cl1.65 Fe3.7 H6.12 Mn4.48 O23.35 Si5.82'
_chemical_name_mineral           Pyrosmalite-(Mn)
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.391
_cell_length_b                   13.391
_cell_length_c                   7.139
_cell_volume                     1108.649
_cod_original_formula_sum        'Mn4.48 Fe3.7 Si5.82 O23.35 Cl1.65 H6.12'
_cod_database_code               9004166
_database_code_amcsd 0005189
The pyrosmalite group of minerals I. Structure refinement of Manganpyrosmalite Note: sample 2 Note: z-coordinate for AlM4 changed Locality: Kyurazawa mine, Japan
Kato T; Takeuchi Y; The Canadian Mineralogist 21 (1983) 1–6; doi:

data_9004167
_publ_section_title
;
 The pyrosmalite group of minerals I. Structure refinement of
 Manganpyrosmalite
 Note: sample 2
 Note: z-coordinate for AlM4 changed
 Locality: Kyurazawa mine, Japan
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1
_journal_page_last               6
_journal_volume                  21
_journal_year                    1983
_chemical_formula_sum            'Cl1.47 Fe1.6 H8.5 Mn6 O23.53 Si6'
_chemical_name_mineral           Pyrosmalite-(Mn)
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.422
_cell_length_b                   13.422
_cell_length_c                   7.165
_cell_volume                     1117.844
_cod_original_formula_sum        'Mn6 Fe1.6 Si6 O23.53 Cl1.47 H8.5'
_cod_database_code               9004167
_database_code_amcsd 0005190
The structure of hackmanite, a variety of sodalite, from Mont St-Hilaire, Quebec
Peterson, R. C.; The Canadian Mineralogist 21 (1983) 549–552; doi:

data_9004168
_publ_section_title
;
 The structure of hackmanite, a variety of sodalite, from Mont
 St-Hilaire, Quebec
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              549
_journal_page_last               552
_journal_volume                  21
_journal_year                    1983
_chemical_compound_source        'Mont St-Hilaire, Quebec, Canada'
_chemical_formula_sum            'Al3 Cl Fe0.04 Na3.76 O12 Si3'
_chemical_name_mineral           Sodalite
_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_length_a                   8.877
_cell_length_b                   8.877
_cell_length_c                   8.877
_cell_formula_units_Z            2
_cell_volume                     699.518
_database_code_amcsd             0005193
_exptl_crystal_density_diffrn    2.285
_cod_original_formula_sum        'Na3.76 Fe.04 Al3 Si3 O12 Cl'
_cod_database_code               9004168
The crystal structure of jarlite
Hawthorne, F. C.; The Canadian Mineralogist 21 (1983) 553–560; doi:

data_9004169
_publ_section_title
;
 The crystal structure of jarlite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              553
_journal_page_last               560
_journal_volume                  21
_journal_year                    1983
_chemical_formula_sum            'Al6 F32 Mg Na1.99 O2 Sr6.01'
_chemical_name_mineral           Jarlite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.86
_cell_angle_gamma                90
_cell_length_a                   15.942
_cell_length_b                   10.821
_cell_length_c                   7.241
_cell_formula_units_Z            2
_cell_volume                     1222.468
_database_code_amcsd             0005194
_exptl_crystal_density_diffrn    3.799
_cod_original_formula_sum        'Sr6.01 Na1.99 Al6 Mg O2 F32'
_cod_database_code               9004169
The crystal structure of pachnolite
Hawthorne, F. C.; Ferguson, R. B.; The Canadian Mineralogist 21 (1983) 561–566; doi:

data_9004170
_publ_section_title
;
 The crystal structure of pachnolite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              561
_journal_page_last               566
_journal_volume                  21
_journal_year                    1983
_chemical_formula_sum            'Al Ca F6 H2 Na O'
_chemical_name_mineral           Pachnolite
_symmetry_space_group_name_H-M   'F 1 2/d 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.37
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.117
_cell_length_b                   10.414
_cell_length_c                   15.680
_cell_volume                     1978.562
_database_code_amcsd             0005195
_exptl_crystal_density_diffrn    2.982
_cod_depositor_comments
;
 Adding the Z number and the standard uncertainties of the atomic coordinates
 after consulting the original publication. Marking entry as being related
 to the AMCSD entry 0005195.

 Antanas Vaitkus,
 2018-07-21
;
_cod_original_formula_sum        'Al Ca Na F6 O H2'
_cod_database_code               9004170
The crystal structure of stenonite and the classification of the aluminofluoride minerals
Hawthorne, F. C.; The Canadian Mineralogist 22 (1984) 245–251; doi:

data_9004171
_publ_section_title
;
 The crystal structure of stenonite and the classification of the
 aluminofluoride minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              245
_journal_page_last               251
_journal_volume                  22
_journal_year                    1984
_chemical_formula_sum            'C Al F5 O3 Sr2'
_chemical_name_mineral           Stenonite
_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                 98.72
_cell_angle_gamma                90
_cell_length_a                   5.450
_cell_length_b                   8.704
_cell_length_c                   13.150
_cell_formula_units_Z            4
_cell_volume                     616.584
_database_code_amcsd             0005196
_exptl_crystal_density_diffrn    3.848
_cod_original_cell_volume        616.583
_cod_original_formula_sum        'Sr2 Al C F5 O3'
_cod_database_code               9004171
The character of the cancrinite-vishnevite solid-solution series
Hassan, I.; Grundy, H. D.; The Canadian Mineralogist 22 (1984) 333–349; doi:

data_9004172
_publ_section_title
;
 The character of the cancrinite-vishnevite solid-solution series
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              333
_journal_page_last               349
_journal_volume                  22
_journal_year                    1984
_chemical_formula_sum            'Al3 Ca0.06 K0.51 Na3.25 O14.67 S0.24 Si3'
_chemical_name_mineral           Vishnevite
_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                   12.685(6)
_cell_length_b                   12.685(6)
_cell_length_c                   5.179(1)
_cell_formula_units_Z            2
_cell_volume                     721.701
_database_code_amcsd             0005197
_exptl_crystal_density_diffrn    2.322
_cod_depositor_comments
;
 Correcting the values of isotropic and anisotropic temperature factors
 after consulting the original publication. Anisotropic values for
 atoms 'O51', 'O52', 'S', 'O7' were removed and the U11 component value
 for atom 'O6' was changed from '4.05980' to '0.05980'. Isotropic values
 were added for all atoms instead of the unknown ('?') values. Standard
 uncertainty values were added for cell constants, isotropic parameters
 and the atomic coordinates.

 Antanas Vaitkus,
 2017-05-12

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-05-12
;
_cod_original_formula_sum        'O14.67 Si3 Al3 S.24 Na3.25 K.51 Ca.06'
_cod_database_code               9004172
The crystal structure of mandarinoite, Fe2Se3O9.6H2O
Hawthorne, F. C.; The Canadian Mineralogist 22 (1984) 475–480; doi:

data_9004173
_publ_section_title
;
 The crystal structure of mandarinoite, Fe2Se3O9.6H2O
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              475
_journal_page_last               480
_journal_volume                  22
_journal_year                    1984
_chemical_formula_sum            'Fe2 H11 O15 Se3'
_chemical_name_mineral           Mandarinoite
_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                 98.26
_cell_angle_gamma                90
_cell_length_a                   16.810
_cell_length_b                   7.880
_cell_length_c                   10.019
_cell_formula_units_Z            4
_cell_volume                     1313.377
_database_code_amcsd             0005198
_exptl_crystal_density_diffrn    3.033
_cod_original_formula_sum        'Se3 Fe2 O15 H11'
_cod_database_code               9004173
The crystal structure of tungstite, WO3.H2O
Szymanski, J. T.; Roberts, A. C.; The Canadian Mineralogist 22 (1984) 681–688; doi:

data_9004174
_publ_section_title
;
 The crystal structure of tungstite, WO3.H2O
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              681
_journal_page_last               688
_journal_volume                  22
_journal_year                    1984
_chemical_formula_sum            'H2 O4 W'
_chemical_name_mineral           Tungstite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.249
_cell_length_b                   10.711
_cell_length_c                   5.133
_cell_formula_units_Z            4
_cell_volume                     288.588
_database_code_amcsd             0005199
_exptl_crystal_density_diffrn    5.751
_cod_original_formula_sum        'W O4 H2'
_cod_database_code               9004174
The crystal structure of georgechaoite NaKZrSi3O9.2H2O
Ghose, S.; Thakur, P.; The Canadian Mineralogist 23 (1985) 5–10; doi:

data_9004175
_publ_section_title
;
 The crystal structure of georgechaoite NaKZrSi3O9.2H2O
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              5
_journal_page_last               10
_journal_volume                  23
_journal_year                    1985
_chemical_formula_sum            'H4 K Na O11 Si3 Zr'
_chemical_name_mineral           Georgechaoite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.836
_cell_length_b                   12.940
_cell_length_c                   6.735
_cell_formula_units_Z            4
_cell_volume                     1031.518
_database_code_amcsd             0005200
_exptl_crystal_density_diffrn    2.689
_cod_original_formula_sum        'Na K Zr Si3 O11 H4'
_cod_database_code               9004175