LMucko/crystallography-open-database huggingface dataset:
The crystal structure of magnolite, Hg2TeO3
Grice, J. D.; The Canadian Mineralogist 27 (1989) 133–136; doi:

data_9004196
_publ_section_title
;
 The crystal structure of magnolite, Hg2TeO3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              133
_journal_page_last               136
_journal_volume                  27
_journal_year                    1989
_chemical_compound_source        'Mount Lion Mine, Colorado, USA'
_chemical_formula_sum            'Hg2 O3 Te'
_chemical_name_mineral           Magnolite
_space_group_IT_number           28
_symmetry_space_group_name_Hall  'P 2 -2b'
_symmetry_space_group_name_H-M   'P b m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.958
_cell_length_b                   10.576
_cell_length_c                   3.749
_cell_formula_units_Z            2
_cell_volume                     236.231
_database_code_amcsd             0005221
_exptl_crystal_density_diffrn    8.109
_cod_original_formula_sum        'Hg2 Te O3'
_cod_database_code               9004196
The crystal structure of arsenohauchecornite
Grice, J. D.; Ferguson, R. B.; The Canadian Mineralogist 27 (1989) 137–142; doi:

data_9004197
_publ_section_title
;
 The crystal structure of arsenohauchecornite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              137
_journal_page_last               142
_journal_volume                  27
_journal_year                    1989
_chemical_compound_source
'Vermilion mine, Sudbury District, Ontario, Canada'
_chemical_formula_sum            'As Bi3 Ni18 S16'
_chemical_name_mineral           Arsenohauchecornite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.2711
_cell_length_b                   10.2711
_cell_length_c                   10.8070
_cell_formula_units_Z            2
_cell_volume                     1140.090
_database_code_amcsd             0005222
_exptl_crystal_density_diffrn    6.616
_cod_original_formula_sum        'Ni18 Bi3 As S16'
_cod_database_code               9004197
The structure of nosean, ideally Na8(Al6Si6O24)SO4.H2O Note: O2 z-coordinate has been corrected according to the ICSD
Hassan, I.; Grundy, H. D.; The Canadian Mineralogist 27 (1989) 165–172; doi:

data_9004198
_publ_section_title
;
 The structure of nosean, ideally Na8(Al6Si6O24)SO4.H2O
 Note: O2 z-coordinate has been corrected according to the ICSD
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              165
_journal_page_last               172
_journal_volume                  27
_journal_year                    1989
_chemical_formula_sum            'Al3 H8 Na4.04 O14.44 S0.49 Si3'
_chemical_name_mineral           Nosean
_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                   9.084
_cell_length_b                   9.084
_cell_length_c                   9.084
_cell_volume                     749.603
_database_code_amcsd             0005223
_exptl_crystal_density_diffrn    2.272
_cod_original_formula_sum        'Al3 Si3 O14.44 Na4.04 S.49 H8'
_cod_database_code               9004198
The crystal structure of hewettite Note: sample Weeks number W-220-54
Evans, H. T.; The Canadian Mineralogist 27 (1989) 181–188; doi:

data_9004199
_publ_section_title
;
 The crystal structure of hewettite
 Note: sample Weeks number W-220-54
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              181
_journal_page_last               188
_journal_volume                  27
_journal_year                    1989
_chemical_compound_source        'Colorado Plateau, USA'
_chemical_formula_sum            'Ca0.5 O11.5 V3'
_chemical_name_mineral           Hewettite
_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                 97.24
_cell_angle_gamma                90
_cell_length_a                   12.290
_cell_length_b                   3.590
_cell_length_c                   11.174
_cell_formula_units_Z            2
_cell_volume                     489.078
_database_code_amcsd             0005224
_exptl_crystal_density_diffrn    2.423
_cod_original_formula_sum        'V3 O11.5 Ca.5'
_cod_database_code               9004199
Crystal-structure refinements of vanadinite and pyromorphite
Dai, Y. S.; Hughes, J. M.; The Canadian Mineralogist 27 (1989) 189–192; doi:

data_9004200
_publ_section_title
;
 Crystal-structure refinements of vanadinite and pyromorphite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              189
_journal_page_last               192
_journal_volume                  27
_journal_year                    1989
_chemical_formula_sum            'Cl O12 Pb5 V3'
_chemical_name_mineral           Vanadinite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.3174
_cell_length_b                   10.3174
_cell_length_c                   7.3378
_cell_formula_units_Z            2
_cell_volume                     676.452
_database_code_amcsd             0005225
_exptl_crystal_density_diffrn    6.953
_cod_original_formula_sum        'Pb5 V3 O12 Cl'
_cod_database_code               9004200
Crystal-structure refinements of vanadinite and pyromorphite
Dai, Y. S.; Hughes, J. M.; The Canadian Mineralogist 27 (1989) 189–192; doi:

data_9004201
_publ_section_title
;
 Crystal-structure refinements of vanadinite and pyromorphite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              189
_journal_page_last               192
_journal_volume                  27
_journal_year                    1989
_chemical_formula_sum            'Cl O12 P3 Pb5'
_chemical_name_mineral           Pyromorphite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.9764
_cell_length_b                   9.9764
_cell_length_c                   7.3511
_cell_formula_units_Z            2
_cell_volume                     633.623
_database_code_amcsd             0005226
_exptl_crystal_density_diffrn    7.109
_cod_original_formula_sum        'Pb5 P3 O12 Cl'
_cod_database_code               9004201
Refinement of the crystal structure of leucophanite
Grice, J. D.; Hawthorne, F. C.; The Canadian Mineralogist 27 (1989) 193–197; doi:

data_9004202
_publ_section_title
;
 Refinement of the crystal structure of leucophanite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              193
_journal_page_last               197
_journal_volume                  27
_journal_year                    1989
_chemical_formula_sum            'Be Ca F Na O6 Si2'
_chemical_name_mineral           Leucophanite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.401
_cell_length_b                   7.412
_cell_length_c                   9.990
_cell_formula_units_Z            4
_cell_volume                     548.014
_database_code_amcsd             0005227
_exptl_crystal_density_diffrn    2.948
_cod_original_formula_sum        'Na Ca Be Si2 O6 F'
_cod_database_code               9004202
Feruvite, a new member of the tourmaline group, and its crystal structure
Grice, J. D.; Robinson, G. W.; The Canadian Mineralogist 27 (1989) 199–203; doi:

data_9004203
_publ_section_title
;
 Feruvite, a new member of the tourmaline group, and its crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              199
_journal_page_last               203
_journal_volume                  27
_journal_year                    1989
_chemical_compound_source        'Cuvier Island, New Zealand'
_chemical_formula_sum
'Al4.722 B3 Ca0.62 Fe1.992 H4 Mg2.025 Na0.38 O31 Si6 Ti0.291'
_chemical_name_mineral           Feruvite
_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                   16.012
_cell_length_b                   16.012
_cell_length_c                   7.245
_cell_formula_units_Z            3
_cell_volume                     1608.645
_database_code_amcsd             0005228
_exptl_crystal_density_diffrn    3.209
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'(Ca.62 Na.38) Fe1.992 Mg2.025 Ti.291 Al4.722 B3 Si6 O31 H4'
_cod_database_code               9004203
Antlerite, Cu3SO4(OH)4, a heteropolyhedral wallpaper structure
Hawthorne, F. C.; Groat, L. A.; Eby, R. K.; The Canadian Mineralogist 27 (1989) 205–209; doi:

data_9004204
_publ_section_title
;
 Antlerite, Cu3SO4(OH)4, a heteropolyhedral wallpaper structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              205
_journal_page_last               209
_journal_volume                  27
_journal_year                    1989
_chemical_compound_source        'Torre Capdulla, Lerida, Italy'
_chemical_formula_sum            'Cu3 H4 O8 S'
_chemical_name_mineral           Antlerite
_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_formula_units_Z            4
_cell_length_a                   8.244
_cell_length_b                   6.043
_cell_length_c                   11.987
_cell_volume                     597.174
_database_code_amcsd             0005229
_exptl_crystal_density_diffrn    3.946
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with given formula
                 miguel
;
_cod_original_formula_sum        'Cu3 S O8 H4'
_cod_database_code               9004204
Hemloite (As,Sb)2(Ti,V,Fe,Al)12O23OH: A new mineral from the Hemlo gold deposit, Hemlo, Ontario, and its crystal structure
Harris, D. C.; Hoskins, B. F.; Grey, I. E.; Criddle, A. J.; Stanley, C. J.; The Canadian Mineralogist 27 (1989) 427–440; doi:

data_9004205
_publ_section_title
;
 Hemloite (As,Sb)2(Ti,V,Fe,Al)12O23OH: A new mineral from the Hemlo gold
 deposit, Hemlo, Ontario, and its crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              427
_journal_page_last               440
_journal_volume                  27
_journal_year                    1989
_chemical_compound_source        'Hemlo gold deposit, Hemlo, Ontario, Canada'
_chemical_formula_sum            'Al0.32 As1.474 Fe4 O24 Sb0.47 Ti5.58 V2.1'
_chemical_name_mineral           Hemloite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.06
_cell_angle_beta                 104.32
_cell_angle_gamma                84.97
_cell_formula_units_Z            2
_cell_length_a                   7.158
_cell_length_b                   7.552
_cell_length_c                   16.014
_cell_volume                     834.894
_database_code_amcsd             0005230
_exptl_crystal_density_diffrn    4.606
_cod_original_formula_sum        'Sb.47 As1.474 Fe4 Ti5.58 Al.32 V2.1 O24'
_cod_database_code               9004205
Manganese-bearing beraunite from Mangualde, Portugal: mineral data and structure refinement
Marzoni Fecia di Cossato, Y.; Orlandi, P.; Pasero, M.; The Canadian Mineralogist 27 (1989) 441–446; doi:

data_9004206
_publ_section_title
;
 Manganese-bearing beraunite from Mangualde, Portugal: mineral data
 and structure refinement
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              441
_journal_page_last               446
_journal_volume                  27
_journal_year                    1989
_chemical_compound_source        'Mangualde, Portugal'
_chemical_formula_sum            'Fe4.8 H17 Mn1.2 O27 P4'
_chemical_name_mineral           Beraunite
_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                 93.55
_cell_angle_gamma                90
_cell_length_a                   20.760
_cell_length_b                   5.154
_cell_length_c                   19.248
_cell_formula_units_Z            4
_cell_volume                     2055.527
_database_code_amcsd             0005231
_exptl_crystal_density_diffrn    2.931
_cod_original_formula_sum        'Fe4.8 Mn1.2 P4 O27 H17'
_cod_database_code               9004206
Polytypism in stibivanite
Merlino, S.; Orlandi, P.; Perchiazzi, N.; Basso, R.; Palenzona, A.; The Canadian Mineralogist 27 (1989) 625–632; doi:

data_9004207
_publ_section_title
;
 Polytypism in stibivanite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              625
_journal_page_last               632
_journal_volume                  27
_journal_year                    1989
_chemical_formula_sum            'O5 Sb2 V'
_chemical_name_mineral           Stibivanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.916
_cell_length_b                   4.790
_cell_length_c                   5.509
_cell_formula_units_Z            4
_cell_volume                     472.769
_database_code_amcsd             0005232
_exptl_crystal_density_diffrn    5.261
_cod_original_formula_sum        'Sb2 V O5'
_cod_database_code               9004207
Gittinsite: A modification of the thortveitite structure
Roelofsen-Ahl J N; Peterson, R. C.; The Canadian Mineralogist 27 (1989) 703–708; doi:

data_9004208
_publ_section_title
;
 Gittinsite: A modification of the thortveitite structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              703
_journal_page_last               708
_journal_volume                  27
_journal_year                    1989
_chemical_formula_sum            'Ca O7 Si2 Zr'
_chemical_name_mineral           Gittinsite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.69
_cell_angle_gamma                90
_cell_length_a                   6.852
_cell_length_b                   8.659
_cell_length_c                   4.686
_cell_formula_units_Z            2
_cell_volume                     272.260
_database_code_amcsd             0005233
_exptl_crystal_density_diffrn    3.653
_cod_original_formula_sum        'Zr Ca Si2 O7'
_cod_database_code               9004208
Evaluation of the Rietveld method for the characterization of fine-grained products of the mineral synthesis: the diopside-hedenbergite join Sample: D0
Raudsepp, M.; Hawthorne, F. C.; Turnock, A. C.; The Canadian Mineralogist 28 (1990) 93–109; doi:

data_9004209
_publ_section_title
;
 Evaluation of the Rietveld method for the characterization of fine-grained
 products of the mineral synthesis: the diopside-hedenbergite join
 Sample: D0
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              93
_journal_page_last               109
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Ca0.89 Mg1.11 O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.939
_cell_angle_gamma                90
_cell_length_a                   9.7470
_cell_length_b                   8.9235
_cell_length_c                   5.2524
_cell_formula_units_Z            4
_cell_volume                     439.276
_database_code_amcsd             0005234
_exptl_crystal_density_diffrn    3.248
_cod_original_formula_sum        'Mg1.11 Ca.89 Si2 O6'
_cod_database_code               9004209
Evaluation of the Rietveld method for the characterization of fine-grained products of the mineral synthesis: the diopside-hedenbergite join Sample: D2
Raudsepp, M.; Hawthorne, F. C.; Turnock, A. C.; The Canadian Mineralogist 28 (1990) 93–109; doi:

data_9004210
_publ_section_title
;
 Evaluation of the Rietveld method for the characterization of fine-grained
 products of the mineral synthesis: the diopside-hedenbergite join
 Sample: D2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              93
_journal_page_last               109
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Ca Fe0.18 Mg0.82 O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.726
_cell_angle_gamma                90
_cell_length_a                   9.7634
_cell_length_b                   8.9488
_cell_length_c                   5.2504
_cell_formula_units_Z            4
_cell_volume                     441.560
_database_code_amcsd             0005235
_exptl_crystal_density_diffrn    3.343
_cod_original_formula_sum        '(Mg.82 Fe.18) Ca Si2 O6'
_cod_database_code               9004210
Evaluation of the Rietveld method for the characterization of fine-grained products of the mineral synthesis: the diopside-hedenbergite join Sample: D3
Raudsepp, M.; Hawthorne, F. C.; Turnock, A. C.; The Canadian Mineralogist 28 (1990) 93–109; doi:

data_9004211
_publ_section_title
;
 Evaluation of the Rietveld method for the characterization of fine-grained
 products of the mineral synthesis: the diopside-hedenbergite join
 Sample: D3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              93
_journal_page_last               109
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Ca Fe0.26 Mg0.74 O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.676
_cell_angle_gamma                90
_cell_length_a                   9.7730
_cell_length_b                   8.9523
_cell_length_c                   5.2524
_cell_formula_units_Z            4
_cell_volume                     442.444
_database_code_amcsd             0005236
_exptl_crystal_density_diffrn    3.374
_cod_original_formula_sum        '(Mg.74 Fe.26) Ca Si2 O6'
_cod_database_code               9004211
Evaluation of the Rietveld method for the characterization of fine-grained products of the mineral synthesis: the diopside-hedenbergite join Sample: D5
Raudsepp, M.; Hawthorne, F. C.; Turnock, A. C.; The Canadian Mineralogist 28 (1990) 93–109; doi:

data_9004212
_publ_section_title
;
 Evaluation of the Rietveld method for the characterization of fine-grained
 products of the mineral synthesis: the diopside-hedenbergite join
 Sample: D5
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              93
_journal_page_last               109
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Ca Fe0.48 Mg0.52 O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.500
_cell_angle_gamma                90
_cell_length_a                   9.795
_cell_length_b                   8.979
_cell_length_c                   5.2545
_cell_formula_units_Z            4
_cell_volume                     445.322
_database_code_amcsd             0005237
_exptl_crystal_density_diffrn    3.456
_cod_original_formula_sum        '(Mg.52 Fe.48) Ca Si2 O6'
_cod_database_code               9004212
Evaluation of the Rietveld method for the characterization of fine-grained products of the mineral synthesis: the diopside-hedenbergite join Sample: D7
Raudsepp, M.; Hawthorne, F. C.; Turnock, A. C.; The Canadian Mineralogist 28 (1990) 93–109; doi:

data_9004213
_publ_section_title
;
 Evaluation of the Rietveld method for the characterization of fine-grained
 products of the mineral synthesis: the diopside-hedenbergite join
 Sample: D7
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              93
_journal_page_last               109
_journal_volume                  28
_journal_year                    1990
_chemical_formula_sum            'Ca Fe0.66 Mg0.34 O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.331
_cell_angle_gamma                90
_cell_length_a                   9.814
_cell_length_b                   8.9959
_cell_length_c                   5.2534
_cell_formula_units_Z            4
_cell_volume                     447.296
_database_code_amcsd             0005238
_exptl_crystal_density_diffrn    3.525
_cod_original_formula_sum        '(Mg.34 Fe.66) Ca Si2 O6'
_cod_database_code               9004213
Crystal structure of Ca-rich beusite from the Yellowknife pegmatite field, Northwest Territories
Wise, M. A.; Hawthorne, F. C.; Cerny, P.; The Canadian Mineralogist 28 (1990) 141–146; doi:

data_9004214
_publ_section_title
;
 Crystal structure of Ca-rich beusite from the Yellowknife pegmatite field,
 Northwest Territories
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              141
_journal_page_last               146
_journal_volume                  28
_journal_year                    1990
_chemical_compound_source
'Yellowknife pegmatite field, Northwest Territories, Canada'
_chemical_formula_sum            'Ca1.18 Fe0.9 Mn0.92 O8 P2'
_chemical_name_mineral           Beusite
_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                 99.31
_cell_angle_gamma                90
_cell_length_a                   8.797
_cell_length_b                   11.758
_cell_length_c                   6.170
_cell_formula_units_Z            4
_cell_volume                     629.788
_database_code_amcsd             0005239
_exptl_crystal_density_diffrn    3.565
_cod_original_formula_sum        'Ca1.18 Fe.9 Mn.92 P2 O8'
_cod_database_code               9004214