LMucko/crystallography-open-database huggingface dataset:
The structure of bytownite (An85). A new refinement
Chiari, G.; Benna, P.; Bruno, E.; Zeitschrift fur Kristallographie 169 (1984) 35–49; doi:

data_9017364
_publ_section_title
;
 The structure of bytownite (An85). A new refinement
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              35
_journal_page_last               49
_journal_volume                  169
_journal_year                    1984
_chemical_compound_source
'Traversella stock, Sesia Lanzo zone, Western Alps, Italy'
_chemical_formula_sum            'Al3.71 Ca1.72 Na0.28 O16 Si4.29'
_chemical_name_mineral           Bytownite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.37
_cell_angle_beta                 116.04
_cell_angle_gamma                90.87
_cell_formula_units_Z            4
_cell_length_a                   8.188
_cell_length_b                   12.822
_cell_length_c                   14.196
_cell_volume                     1335.384
_database_code_amcsd             0020638
_exptl_crystal_density_diffrn    2.745
_cod_data_source_file            inputs/fixed/downloads/12/12959.cif
_cod_data_source_block           12959
_cod_original_formula_sum        '(Ca1.72 Na.28) Al3.71 Si4.29 O16'
_cod_database_code               9017364
The structure of bytownite (An85). A new refinement
Chiari, G.; Benna, P.; Bruno, E.; Zeitschrift fur Kristallographie 169 (1984) 35–49; doi:

data_9017365
_publ_section_title
;
 The structure of bytownite (An85). A new refinement
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              35
_journal_page_last               49
_journal_volume                  169
_journal_year                    1984
_chemical_compound_source
'Traversella stock, Sesia Lanzo zone, Western Alps, Italy'
_chemical_formula_sum            'Al3.71 Ca1.72 Na0.28 O16 Si4.29'
_chemical_name_mineral           Bytownite
_space_group_IT_number           2
_space_group_name_Hall           '-I 1'
_space_group_name_H-M_alt        'I -1'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                93.37
_cell_angle_beta                 116.04
_cell_angle_gamma                90.87
_cell_formula_units_Z            4
_cell_length_a                   8.188
_cell_length_b                   12.822
_cell_length_c                   14.196
_cell_volume                     1335.384
_database_code_amcsd             0020639
_exptl_crystal_density_diffrn    2.745
_cod_data_source_file            inputs/fixed/downloads/12/12960.cif
_cod_data_source_block           12960
_cod_original_formula_sum        'Ca1.72 Na.28 Al3.71 Si4.29 O16'
_cod_database_code               9017365
The structure of bytownite (An85). A new refinement
Chiari, G.; Benna, P.; Bruno, E.; Zeitschrift fur Kristallographie 169 (1984) 35–49; doi:

data_9017366
_publ_section_title
;
 The structure of bytownite (An85). A new refinement
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              35
_journal_page_last               49
_journal_volume                  169
_journal_year                    1984
_chemical_compound_source
'Traversella stock, Sesia Lanzo zone, Western Alps, Italy'
_chemical_formula_sum            'Al3.71 Ca1.72 Na0.28 O16 Si4.29'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.37
_cell_angle_beta                 116.04
_cell_angle_gamma                90.87
_cell_formula_units_Z            4
_cell_length_a                   8.188
_cell_length_b                   12.822
_cell_length_c                   14.196
_cell_volume                     1335.384
_database_code_amcsd             0020640
_exptl_crystal_density_diffrn    2.745
_cod_data_source_file            inputs/fixed/downloads/12/12961.cif
_cod_data_source_block           12961
_cod_original_formula_sum        '(Ca1.72 Na.28) Al3.71 Si4.29 O16'
_cod_database_code               9017366
_cod_duplicate_entry 9017364
The structure of bytownite (An85). A new refinement
Chiari, G.; Benna, P.; Bruno, E.; Zeitschrift fur Kristallographie 169 (1984) 35–49; doi:

data_9017367
_publ_section_title
;
 The structure of bytownite (An85). A new refinement
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              35
_journal_page_last               49
_journal_volume                  169
_journal_year                    1984
_chemical_compound_source
'Traversella stock, Sesia Lanzo zone, Western Alps, Italy'
_chemical_formula_sum            'Al3.71 Ca1.72 Na0.28 O16 Si4.29'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_space_group_name_Hall           '-I 1'
_space_group_name_H-M_alt        'I -1'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                93.37
_cell_angle_beta                 116.04
_cell_angle_gamma                90.87
_cell_formula_units_Z            4
_cell_length_a                   8.188
_cell_length_b                   12.822
_cell_length_c                   14.196
_cell_volume                     1335.384
_database_code_amcsd             0020641
_exptl_crystal_density_diffrn    2.745
_cod_data_source_file            inputs/fixed/downloads/12/12962.cif
_cod_data_source_block           12962
_cod_original_formula_sum        'Ca1.72 Na.28 Al3.71 Si4.29 O16'
_cod_database_code               9017367
_cod_duplicate_entry 9017365
Hydrothermal growth and the crystal structure of arsenic telluride, As2Te3
Stergiou, A. C.; Rentzeperis, P. J.; Zeitschrift fur Kristallographie 172 (1985) 139–145; doi:

data_9017368
_publ_section_title
;
 Hydrothermal growth and the crystal structure of arsenic telluride, As2Te3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              139
_journal_page_last               145
_journal_volume                  172
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Te3'
_chemical_name_mineral           Kalgoorlieite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.107
_cell_angle_gamma                90
_cell_length_a                   14.3573
_cell_length_b                   4.0199
_cell_length_c                   9.8990
_cell_formula_units_Z            4
_cell_volume                     569.052
_database_code_amcsd             0020523
_exptl_crystal_density_diffrn    6.217
_cod_data_source_file            inputs/fixed/downloads/13/13029.cif
_cod_data_source_block           13029
_cod_database_code               9017368
Refinement of the crystal structure of jurbanite, Al(SO4)(OH)*5H2O
Sabelli, C.; Zeitschrift fur Kristallographie 173 (1985) 33–39; doi:

data_9017369
_publ_section_title
;
 Refinement of the crystal structure of jurbanite, Al(SO4)(OH)*5H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              33
_journal_page_last               39
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Cetine mine, Tuscany, Italy'
_chemical_formula_sum            'Al H11 O10 S'
_chemical_name_mineral           Jurbanite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.917
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3965
_cell_length_b                   12.479
_cell_length_c                   8.1549
_cell_volume                     836.054
_database_code_amcsd             0010939
_exptl_crystal_density_diffrn    1.828
_cod_data_source_file            inputs/fixed/downloads/13/13033.cif
_cod_data_source_block           13033
_cod_original_formula_sum        'Al S O10 H11'
_cod_database_code               9017369
_cod_duplicate_entry 9008367
The crystal structure of beta-zinc selenite
Bensch, W.; Gunther, J. R.; Zeitschrift fur Kristallographie 174 (1986) 291–295; doi:

data_9017370
_publ_section_title
;
 The crystal structure of beta-zinc selenite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               295
_journal_volume                  174
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O3 Se Zn'
_chemical_name_mineral           Zincomenite
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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                   7.188
_cell_length_b                   6.225
_cell_length_c                   11.976
_cell_formula_units_Z            8
_cell_volume                     535.870
_database_code_amcsd             0020210
_exptl_crystal_density_diffrn    4.768
_cod_data_source_file            inputs/fixed/downloads/13/13053.cif
_cod_data_source_block           13053
_cod_original_formula_sum        'Zn Se O3'
_cod_database_code               9017370
Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: Dollase's model, T = 733 K
Kihara, K.; Matsumoto, T.; Imamura, M.; Zeitschrift fur Kristallographie 177 (1986) 27–38; doi:

data_9017371
_publ_section_title
;
 Structural change of orthorhombic-I tridymite with temperature:
 A study based on second-order thermal-vibrational parameters
 Note: Dollase's model, T = 733 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              27
_journal_page_last               38
_journal_volume                  177
_journal_year                    1986
_chemical_compound_source        'synthetic refractory silica brick'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2 (x,y,z-1/4)'
_space_group_name_H-M_alt        'C 2 2 21 (a,b,c+1/4)'
_symmetry_space_group_name_H-M   'C 2 2 21 (a,b,c+1/4)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.74
_cell_length_b                   5.04
_cell_length_c                   8.24
_cell_formula_units_Z            8
_cell_volume                     362.969
_database_code_amcsd             0020936
_diffrn_ambient_temperature      733
_exptl_crystal_density_diffrn    2.199
_cod_data_source_file            inputs/fixed/downloads/13/13066.cif
_cod_data_source_block           13066
_cod_original_sg_symbol_H-M      'C 2 2 21'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017371
Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: hexagonal Gibbs model, T = 733 K
Kihara, K.; Matsumoto, T.; Imamura, M.; Zeitschrift fur Kristallographie 177 (1986) 27–38; doi:

data_9017372
_publ_section_title
;
 Structural change of orthorhombic-I tridymite with temperature:
 A study based on second-order thermal-vibrational parameters
 Note: hexagonal Gibbs model, T = 733 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              27
_journal_page_last               38
_journal_volume                  177
_journal_year                    1986
_chemical_compound_source        'synthetic refractory silica brick'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_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                   5.052
_cell_length_b                   5.052
_cell_length_c                   8.27
_cell_formula_units_Z            4
_cell_volume                     182.794
_database_code_amcsd             0020938
_diffrn_ambient_temperature      733
_exptl_crystal_density_diffrn    2.183
_cod_data_source_file            inputs/fixed/downloads/13/13068.cif
_cod_data_source_block           13068
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017372
Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen
Abriel, W.; Nesper, R.; Zeitschrift fur Kristallographie 205 (1993) 99–113; doi:

data_9017373
_publ_section_title
;
 Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit
 Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              99
_journal_page_last               113
_journal_volume                  205
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 H2 O9 S2'
_chemical_name_mineral           Bassanite
_space_group_IT_number           5
_space_group_name_Hall           'I 2y'
_space_group_name_H-M_alt        'I 1 2 1'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.18
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   12.0275
_cell_length_b                   6.9312
_cell_length_c                   12.6919
_cell_volume                     1058.055
_database_code_amcsd             0019827
_exptl_crystal_density_diffrn    2.734
_cod_data_source_file            inputs/fixed/downloads/13/13166.cif
_cod_data_source_block           13166
_cod_original_formula_sum        'Ca2 S2 O9 H2'
_cod_database_code               9017373
Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen
Abriel, W.; Nesper, R.; Zeitschrift fur Kristallographie 205 (1993) 99–113; doi:

data_9017374
_publ_section_title
;
 Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit
 Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              99
_journal_page_last               113
_journal_volume                  205
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca H O4.5 S'
_chemical_name_mineral           Bassanite
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.937
_cell_length_b                   6.937
_cell_length_c                   6.345
_cell_volume                     264.427
_database_code_amcsd             0019828
_exptl_crystal_density_diffrn    2.735
_cod_data_source_file            inputs/fixed/downloads/13/13167.cif
_cod_data_source_block           13167
_cod_original_formula_sum        'Ca S O4.5 H'
_cod_database_code               9017374
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 7–83; doi:

data_9017375
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              7
_journal_page_last               83
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            Te
_chemical_name_common            Tellurium
_chemical_name_mineral           Tellurium
_chemical_name_systematic        Tellurium
_space_group_IT_number           154
_space_group_name_Hall           'P 32 2"'
_space_group_name_H-M_alt        'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.44693
_cell_length_b                   4.44693
_cell_length_c                   5.91492
_cell_volume                     101.298
_exptl_crystal_density_diffrn    6.275
_cod_duplicate_entry             9008580
_cod_data_source_file            inputs/fixed/downloads/13/13385.cif
_cod_data_source_block           13385
_cod_database_code               9017375
Some notes on the palladium-silicon system
Nylund, A.; Acta Chemica Scandinavica 20 (1966) 2381–2386; doi:

data_9017376
_publ_section_title
;
 Some notes on the palladium-silicon system
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2381
_journal_page_last               2386
_journal_volume                  20
_journal_year                    1966
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Pd2 Si'
_chemical_name_mineral           Palladosilicide
_space_group_IT_number           189
_space_group_name_Hall           'P -6 -2'
_space_group_name_H-M_alt        'P -6 2 m'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.496
_cell_length_b                   6.496
_cell_length_c                   3.433
_cell_formula_units_Z            3
_cell_volume                     125.457
_database_code_amcsd             0020847
_exptl_crystal_density_diffrn    9.567
_cod_data_source_file            inputs/fixed/downloads/14/14040.cif
_cod_data_source_block           14040
_cod_database_code               9017376
The structures of yttrium and bismuth trifluorides by neutron diffraction
Cheetham, A. K.; Norman, N.; Acta Chemica Scandinavica  (1974) 55–60; doi:

data_9017377
_publ_section_title
;
 The structures of yttrium and bismuth trifluorides by neutron diffraction
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              55
_journal_page_last               60
_journal_volume                  A28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Y'
_chemical_name_mineral           Waimirite-(Y)
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.3537
_cell_length_b                   6.8545
_cell_length_c                   4.3953
_cell_formula_units_Z            4
_cell_volume                     191.422
_database_code_amcsd             0020020
_exptl_crystal_density_diffrn    5.063
_cod_data_source_file            inputs/fixed/downloads/14/14086.cif
_cod_data_source_block           14086
_cod_original_formula_sum        'Y F3'
_cod_database_code               9017377
Pyrolysis products of Bi2(SO4)3. II. Crystal structure of Bi2O(SO4)2
Aurivillius, B.; Acta Chemica Scandinavica  (1988) 95–110; doi:

data_9017378
_publ_section_title
;
 Pyrolysis products of Bi2(SO4)3. II. Crystal structure of Bi2O(SO4)2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              95
_journal_page_last               110
_journal_volume                  A42
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 O9 S2'
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.55
_cell_angle_gamma                90
_cell_length_a                   32.160
_cell_length_b                   6.7606
_cell_length_c                   22.612
_cell_formula_units_Z            24
_cell_volume                     4276.834
_database_code_amcsd             0020216
_exptl_crystal_density_diffrn    5.834
_cod_data_source_file            inputs/fixed/downloads/14/14131.cif
_cod_data_source_block           14131
_cod_original_formula_sum        'Bi2 S2 O9'
_cod_database_code               9017378
_amcsd_formula_title             Bi2O(SO4)2
Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
Christensen, A. N.; Lehmann, M. S.; Convert, P.; Acta Chemica Scandinavica A 36 (1982) 303–308; doi:

data_9017379
_publ_section_title
;
 Deuteration of crystalline hydroxides.
 Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              303
_journal_page_last               308
_journal_volume                  36
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al H2 O2'
_chemical_name_mineral           Bohmite
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.876
_cell_length_b                   12.24
_cell_length_c                   3.709
_cell_formula_units_Z            4
_cell_volume                     130.565
_database_code_amcsd             0020685
_exptl_crystal_density_diffrn    3.103
_cod_data_source_file            inputs/fixed/downloads/14/14132.cif
_cod_data_source_block           14132
_cod_original_formula_sum        'Al O2 H2'
_cod_database_code               9017379
Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
Christensen, A. N.; Lehmann, M. S.; Convert, P.; Acta Chemica Scandinavica A 36 (1982) 303–308; doi:

data_9017380
_publ_section_title
;
 Deuteration of crystalline hydroxides.
 Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              303
_journal_page_last               308
_journal_volume                  36
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al H O2'
_chemical_name_mineral           Bohmite
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.876
_cell_length_b                   12.24
_cell_length_c                   3.709
_cell_formula_units_Z            4
_cell_volume                     130.565
_database_code_amcsd             0020686
_exptl_crystal_density_diffrn    3.052
_cod_data_source_file            inputs/fixed/downloads/14/14133.cif
_cod_data_source_block           14133
_cod_original_formula_sum        'Al O2 H'
_cod_database_code               9017380