LMucko/crystallography-open-database huggingface dataset:
The crystal structures of two oligoclases: a comparison with low and high albite Locality: Camedo, Switzerland Sample: An16
Phillips, M. W.; Colville, A. A.; Ribbe, P. H.; Zeitschrift fur Kristallographie 133 (1971) 43–65; doi:10.1524/zkri.1971.133.133.43

data_9011422
_publ_section_title
;The crystal structures of two oligoclases: a comparison with low and high
 albite Locality: Camedo, Switzerland Sample: An16
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              43
_journal_page_last               65
_journal_paper_doi               10.1524/zkri.1971.133.133.43
_journal_volume                  133
_journal_year                    1971
_chemical_formula_sum            'Al1.179 Ca0.179 Na0.821 O8 Si2.821'
_chemical_name_mineral           Oligoclase
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                94.06
_cell_angle_beta                 116.50
_cell_angle_gamma                88.59
_cell_length_a                   8.154
_cell_length_b                   12.823
_cell_length_c                   7.139
_cell_formula_units_Z            4
_cell_volume                     666.322
_exptl_crystal_density_diffrn    2.642
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-28
;
_cod_original_formula_sum        '(Na.821 Ca.179) (Al1.179 Si2.821) O8'
_cod_database_code               9011422
_database_code_amcsd 0010721
The crystal structures of two oligoclases: a comparison with low and high albite Locality: Camedo, Switzerland Sample: An28
Phillips, M. W.; Colville, A. A.; Ribbe, P. H.; Zeitschrift fur Kristallographie 133 (1971) 43–65; doi:10.1524/zkri.1971.133.133.43

data_9011423
_publ_section_title
;The crystal structures of two oligoclases: a comparison with low and high
 albite Locality: Camedo, Switzerland Sample: An28
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              43
_journal_page_last               65
_journal_paper_doi               10.1524/zkri.1971.133.133.43
_journal_volume                  133
_journal_year                    1971
_chemical_formula_sum            'Al1.277 Ca0.277 Na0.723 O8 Si2.723'
_chemical_name_mineral           Oligoclase
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.63
_cell_angle_beta                 116.40
_cell_angle_gamma                89.46
_cell_length_a                   8.169
_cell_length_b                   12.851
_cell_length_c                   7.124
_cell_formula_units_Z            4
_cell_volume                     668.391
_exptl_crystal_density_diffrn    2.650
_cod_original_formula_sum        '(Na.723 Ca.277) (Al1.277 Si2.723) O8'
_cod_database_code               9011423
_database_code_amcsd 0010722
The crystal structure of vrbaite, Hg3Tl4As8Sb2S20 Locality: Allchar, Macedonia
Ohmasa, M.; Nowacki, W.; Zeitschrift fur Kristallographie 134 (1971) 360–380; doi:10.1524/zkri.1971.134.5-6.360

data_9011424
_publ_section_title
;
 The crystal structure of vrbaite, Hg3Tl4As8Sb2S20
 Locality: Allchar, Macedonia
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              360
_journal_page_last               380
_journal_paper_doi               10.1524/zkri.1971.134.5-6.360
_journal_volume                  134
_journal_year                    1971
_chemical_formula_sum            'As8 Hg3 S20 Sb2 Tl4'
_chemical_name_mineral           Vrbaite
_space_group_IT_number           41
_space_group_name_Hall           'A 2 -2ab'
_space_group_name_H-M_alt        'A e a 2'
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.287
_cell_length_b                   23.389
_cell_length_c                   13.399
_cell_formula_units_Z            4
_cell_volume                     3537.224
_exptl_crystal_density_diffrn    5.452
_cod_original_sg_symbol_H-M      'A b a 2'
_cod_original_formula_sum        'Hg3 Tl4 As8 Sb2 S20'
_cod_database_code               9011424
_database_code_amcsd 0010725
Refinement of the crystal structure of stibnite, Sb2S3
Bayliss, P.; Nowacki, W.; Zeitschrift fur Kristallographie 135 (1972) 308–315; doi:10.1524/zkri.1972.135.3-4.308

data_9011425
_publ_section_title
;
 Refinement of the crystal structure of stibnite, Sb2S3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              308
_journal_page_last               315
_journal_paper_doi               10.1524/zkri.1972.135.3-4.308
_journal_volume                  135
_journal_year                    1972
_chemical_formula_sum            'S3 Sb2'
_chemical_name_mineral           Stibnite
_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_length_a                   11.3107
_cell_length_b                   3.8363
_cell_length_c                   11.2285
_cell_formula_units_Z            4
_cell_volume                     487.219
_database_code_amcsd             0010729
_exptl_crystal_density_diffrn    4.631
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9011425
The crystal structure and bonding of lorandite, Tl2As2S4
Fleet, M. E.; Zeitschrift fur Kristallographie 138 (1973) 147–160; doi:

data_9011426
_publ_section_title
;
 The crystal structure and bonding of lorandite, Tl2As2S4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              147
_journal_page_last               160
_journal_volume                  138
_journal_year                    1973
_chemical_formula_sum            'As S2 Tl'
_chemical_name_mineral           Lorandite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.5
_cell_angle_gamma                90
_cell_length_a                   12.28
_cell_length_b                   11.30
_cell_length_c                   6.10
_cell_formula_units_Z            8
_cell_volume                     819.499
_database_code_amcsd             0010746
_exptl_crystal_density_diffrn    5.567
_cod_original_formula_sum        'Tl As S2'
_cod_database_code               9011426
The crystal structure of freieslebenite, PbAgSbS3
Ito, T.; Nowacki, W.; Zeitschrift fur Kristallographie 139 (1974) 85–102; doi:

data_9011427
_publ_section_title
;
 The crystal structure of freieslebenite, PbAgSbS3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              85
_journal_page_last               102
_journal_volume                  139
_journal_year                    1974
_chemical_compound_source        'Vascongadas, Spain'
_chemical_formula_sum            'Ag Pb S3 Sb'
_chemical_name_mineral           Freieslebenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.25
_cell_angle_gamma                90
_cell_length_a                   7.518
_cell_length_b                   12.809
_cell_length_c                   5.940
_cell_formula_units_Z            4
_cell_volume                     571.569
_database_code_amcsd             0010760
_exptl_crystal_density_diffrn    6.194
_cod_original_cell_volume        571.570
_cod_original_formula_sum        'Pb Ag Sb S3'
_cod_database_code               9011427
The crystal structure of high-temperature CuFe2S3
Szymanski, J. T.; Zeitschrift fur Kristallographie 140 (1974) 240–248; doi:

data_9011428
_publ_section_title
;
 The crystal structure of high-temperature CuFe2S3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              240
_journal_page_last               248
_journal_volume                  140
_journal_year                    1974
_chemical_compound_source        'Strathcona mine, Sudbury, Ontario'
_chemical_formula_sum            'Cu0.333 Fe0.667 S'
_chemical_name_mineral           Isocubanite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.296
_cell_length_b                   5.296
_cell_length_c                   5.296
_cell_formula_units_Z            4
_cell_volume                     148.540
_database_code_amcsd             0010766
_exptl_crystal_density_diffrn    4.046
_cod_original_formula_sum        'Cu.333 Fe.667 S'
_cod_database_code               9011428
The crystal structure of a thallium sulfosalt, Tl8Pb4Sb21As19S68
Nagl, A.; Zeitschrift fur Kristallographie 150 (1979) 85–106; doi:

data_9011429
_publ_section_title
;
 The crystal structure of a thallium sulfosalt, Tl8Pb4Sb21As19S68
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              85
_journal_page_last               106
_journal_volume                  150
_journal_year                    1979
_chemical_compound_source        'Jas Roux, France'
_chemical_formula_sum            'As19 Pb4 S68 Sb21 Tl8'
_chemical_name_mineral           Chabourneite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                83.98
_cell_angle_beta                 89.06
_cell_angle_gamma                83.20
_cell_formula_units_Z            1
_cell_length_a                   16.320
_cell_length_b                   21.3180
_cell_length_c                   8.543
_cell_volume                     2934.986
_database_code_amcsd             0010812
_exptl_crystal_density_diffrn    4.880
_cod_original_formula_sum        'Tl8 Pb4 Sb21 As19 S68'
_cod_database_code               9011429
Crystal structure of sapphirine-1Tc Note: polytype sapphirine-1Tc
Merlino, S.; Zeitschrift fur Kristallographie 151 (1980) 91–100; doi:

data_9011430
_publ_section_title
;
 Crystal structure of sapphirine-1Tc
 Note: polytype sapphirine-1Tc
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              91
_journal_page_last               100
_journal_volume                  151
_journal_year                    1980
_chemical_compound_source        'Wilson Lake, Labrador, Canada'
_chemical_formula_sum            'Al8.05 Fe1.05 Mg3.15 O20 Si1.75'
_chemical_name_mineral           Sapphirine
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.4
_cell_angle_beta                 95.2
_cell_angle_gamma                123.8
_cell_length_a                   9.97
_cell_length_b                   10.34
_cell_length_c                   8.62
_cell_formula_units_Z            2
_cell_volume                     666.618
_database_code_amcsd             0010820
_exptl_crystal_density_diffrn    3.595
_cod_original_formula_sum        'Al8.05 Fe1.05 Mg3.15 Si1.75 O20'
_cod_database_code               9011430
Die kristallstruktur von heteromorphit, Pb7Sb8S19
Edenharter, A.; Zeitschrift fur Kristallographie 151 (1980) 193–202; doi:10.1524/zkri.1980.151.3-4.193

data_9011431
_publ_section_title
;
 Die kristallstruktur von heteromorphit, Pb7Sb8S19
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               202
_journal_paper_doi               10.1524/zkri.1980.151.3-4.193
_journal_volume                  151
_journal_year                    1980
_chemical_formula_sum            'Pb7 S19 Sb8'
_chemical_name_mineral           Heteromorphite
_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                 90.92
_cell_angle_gamma                90
_cell_length_a                   13.628
_cell_length_b                   11.943
_cell_length_c                   21.285
_cell_formula_units_Z            4
_cell_volume                     3463.883
_database_code_amcsd             0010822
_exptl_crystal_density_diffrn    5.817
_cod_original_formula_sum        'Pb7 Sb8 S19'
_cod_database_code               9011431
Die kristallstruktur von synthetischem ellisit, Tl3AsS3 Note: anisob's corrected to match reported Biso's
Gostojic, M.; Zeitschrift fur Kristallographie 151 (1980) 249–254; doi:

data_9011432
_publ_section_title
;
 Die kristallstruktur von synthetischem ellisit, Tl3AsS3
 Note: anisob's corrected to match reported Biso's
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              249
_journal_page_last               254
_journal_volume                  151
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As S3 Tl3'
_chemical_name_mineral           Ellisite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                105.87
_cell_angle_beta                 105.87
_cell_angle_gamma                105.87
_cell_formula_units_Z            1
_cell_length_a                   5.9967
_cell_length_b                   5.9967
_cell_length_c                   5.9967
_cell_volume                     184.847
_database_code_amcsd             0010824
_exptl_crystal_density_diffrn    7.045
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Tl3 As S3'
_cod_database_code               9011432
Die kristallstruktur von queitit, Pb4Zn2[SO4|SiO4|Si2O7]
Hess, H.; Keller, P.; Zeitschrift fur Kristallographie 151 (1980) 287–299; doi:

data_9011433
_publ_section_title
;
 Die kristallstruktur von queitit, Pb4Zn2[SO4|SiO4|Si2O7]
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              287
_journal_page_last               299
_journal_volume                  151
_journal_year                    1980
_chemical_compound_source        'Tsumeb mine, Namibia'
_chemical_formula_sum            'O15 Pb4 S Si3 Zn2'
_chemical_name_mineral           Queitite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.16
_cell_angle_gamma                90
_cell_length_a                   11.362
_cell_length_b                   5.266
_cell_length_c                   12.655
_cell_formula_units_Z            2
_cell_volume                     719.463
_database_code_amcsd             0010825
_exptl_crystal_density_diffrn    6.074
_cod_original_formula_sum        'Pb4 Zn2 S Si3 O15'
_cod_database_code               9011433
Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4
Weitzel, H.; Schrocke, H.; Zeitschrift fur Kristallographie 152 (1980) 69–82; doi:

data_9011434
_publ_section_title
;Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und
 M-fergusonit, YNbO4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              69
_journal_page_last               82
_journal_volume                  152
_journal_year                    1980
_chemical_formula_sum            'Nb O6 Ti Y'
_chemical_name_mineral           Euxenite-(Y)
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.6432
_cell_length_b                   5.5528
_cell_length_c                   5.1953
_cell_formula_units_Z            4
_cell_volume                     422.434
_database_code_amcsd             0010827
_exptl_crystal_density_diffrn    5.121
_cod_original_formula_sum        'Y (Nb Ti) O6'
_cod_database_code               9011434
Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4
Weitzel, H.; Schrocke, H.; Zeitschrift fur Kristallographie 152 (1980) 69–82; doi:

data_9011435
_publ_section_title
;Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und
 M-fergusonit, YNbO4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              69
_journal_page_last               82
_journal_volume                  152
_journal_year                    1980
_chemical_formula_sum            'Nb O4 Y'
_chemical_name_mineral           Fergusonite-(Y)-beta
_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                 138.42
_cell_angle_gamma                90
_cell_length_a                   7.6454
_cell_length_b                   10.9994
_cell_length_c                   5.3172
_cell_formula_units_Z            4
_cell_volume                     296.757
_database_code_amcsd             0010828
_exptl_crystal_density_diffrn    5.502
_cod_original_formula_sum        'Y Nb O4'
_cod_database_code               9011435
Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4
Weitzel, H.; Schrocke, H.; Zeitschrift fur Kristallographie 152 (1980) 69–82; doi:

data_9011436
_publ_section_title
;Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und
 M-fergusonit, YNbO4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              69
_journal_page_last               82
_journal_volume                  152
_journal_year                    1980
_chemical_formula_sum            'Nb O4 Y'
_chemical_name_mineral           Fergusonite-(Y)-beta
_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                 138.42
_cell_angle_gamma                90
_cell_length_a                   7.6454
_cell_length_b                   10.9994
_cell_length_c                   5.3172
_cell_formula_units_Z            4
_cell_volume                     296.757
_database_code_amcsd             0010829
_exptl_crystal_density_diffrn    5.502
_cod_original_formula_sum        'Y Nb O4'
_cod_database_code               9011436
_cod_duplicate_entry 9011435
Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K Sample: T = 100 K
Guth, H.; Heger, G.; Klein, S.; Treutmann, W.; Scheringer, C.; Zeitschrift fur Kristallographie 153 (1980) 237–254; doi:

data_9011437
_publ_section_title
;
 Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei
 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K
 Sample: T = 100 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              237
_journal_page_last               254
_journal_volume                  153
_journal_year                    1980
_chemical_formula_structural     CO(NH2)2
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_mineral           Urea
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.576
_cell_length_b                   5.576
_cell_length_c                   4.692
_cell_formula_units_Z            2
_cell_volume                     145.883
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.367
_cod_original_formula_sum        'C O N2 H4'
_cod_database_code               9011437
_cod_duplicate_entry 1008775
Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K Sample: T = 293 K
Guth, H.; Heger, G.; Klein, S.; Treutmann, W.; Scheringer, C.; Zeitschrift fur Kristallographie 153 (1980) 237–254; doi:

data_9011438
_publ_section_title
;
 Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei
 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K
 Sample: T = 293 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              237
_journal_page_last               254
_journal_volume                  153
_journal_year                    1980
_chemical_formula_structural     CO(NH2)2
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_mineral           Urea
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.645
_cell_length_b                   5.645
_cell_length_c                   4.704
_cell_formula_units_Z            2
_cell_volume                     149.898
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.331
_cod_original_formula_sum        'C O N2 H4'
_cod_database_code               9011438
_cod_duplicate_entry 1008785
Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K Sample: T = 123 K
Guth, H.; Heger, G.; Klein, S.; Treutmann, W.; Scheringer, C.; Zeitschrift fur Kristallographie 153 (1980) 237–254; doi:

data_9011439
_publ_section_title
;
 Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei
 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K
 Sample: T = 123 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              237
_journal_page_last               254
_journal_volume                  153
_journal_year                    1980
_chemical_formula_structural     CO(NH2)2
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_mineral           Urea
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.578
_cell_length_b                   5.578
_cell_length_c                   4.695
_cell_formula_units_Z            2
_cell_volume                     146.081
_diffrn_ambient_temperature      123
_exptl_crystal_density_diffrn    1.365
_cod_original_formula_sum        'C O N2 H4'
_cod_database_code               9011439
_cod_duplicate_entry 1008786