LMucko/crystallography-open-database huggingface dataset:
The crystal structure of Fe2P, Fe2N, Fe3N and FeB
Hendricks, S. B.; Kosting, P. R.; Zeitschrift fur Kristallographie 74 (1930) 511–533; doi:

data_9011403
_publ_section_title
;
 The crystal structure of Fe2P, Fe2N, Fe3N and FeB
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              511
_journal_page_last               533
_journal_volume                  74
_journal_year                    1930
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 P'
_chemical_name_mineral           Barringerite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.852
_cell_length_b                   5.852
_cell_length_c                   3.453
_cell_formula_units_Z            3
_cell_volume                     102.408
_database_code_amcsd             0010500
_exptl_crystal_density_diffrn    6.940
_cod_database_code               9011403
The crystal structure of cementite
Hendricks, B. S.; Zeitschrift fur Kristallographie 74 (1930) 534–545; doi:

data_9011404
_publ_section_title
;
 The crystal structure of cementite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              534
_journal_page_last               545
_journal_volume                  74
_journal_year                    1930
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.518
_cell_length_b                   5.069
_cell_length_c                   6.736
_cell_formula_units_Z            4
_cell_volume                     154.266
_exptl_crystal_density_diffrn    7.731
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9011404
_cod_duplicate_entry 1010936
The crystal structure of cementite
Hendricks, B. S.; Zeitschrift fur Kristallographie 74 (1930) 534–545; doi:

data_9011405
_publ_section_title
;
 The crystal structure of cementite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              534
_journal_page_last               545
_journal_volume                  74
_journal_year                    1930
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cementite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.518
_cell_length_b                   5.069
_cell_length_c                   6.736
_cell_formula_units_Z            4
_cell_volume                     154.266
_exptl_crystal_density_diffrn    7.731
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9011405
_cod_duplicate_entry 1010936
Zur kristallstruktur von bastnasit (Ce,La–)FCO3 Note: positions of C and at least one O undetermined
Oftedal, I.; Zeitschrift fur Kristallographie 78 (1931) 462–469; doi:

data_9011406
_publ_section_title
;
 Zur kristallstruktur von bastnasit (Ce,La--)FCO3
 Note: positions of C and at least one O undetermined
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              462
_journal_page_last               469
_journal_volume                  78
_journal_year                    1931
_chemical_compound_source        'Western Cheyenne Canyon, Colorado, USA'
_chemical_formula_sum            'Ce0.5 F La0.5 O2'
_chemical_name_mineral           Bastnasite-(La)
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.094
_cell_length_b                   7.094
_cell_length_c                   9.718
_cell_formula_units_Z            6
_cell_volume                     423.536
_database_code_amcsd             0010506
_exptl_crystal_density_diffrn    4.481
_cod_original_formula_sum        '(La.5 Ce.5) F O2'
_cod_database_code               9011406
Die kristallstruktur von romeit und schneebergit
Zedlitz, O.; Zeitschrift fur Kristallographie 81 (1932) 253–263; doi:

data_9011407
_publ_section_title
;
 Die kristallstruktur von romeit und schneebergit
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              253
_journal_page_last               263
_journal_volume                  81
_journal_year                    1932
_chemical_compound_source        'St. Marcel, Piemont, Italy'
_chemical_formula_sum            'Ca H Na O7 Sb2'
_chemical_name_mineral           Romeite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.272
_cell_length_b                   10.272
_cell_length_c                   10.272
_cell_volume                     1083.840
_database_code_amcsd             0010507
_exptl_crystal_density_diffrn    5.143
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        '(Ca Na) Sb2 O7 H'
_cod_database_code               9011407
Tetrossido di antimonio e antimoniati
Natta, G.; Baccaredda, M.; Zeitschrift fur Kristallographie 85 (1933) 271–296; doi:

data_9011408
_publ_section_title
;
 Tetrossido di antimonio e antimoniati
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              271
_journal_page_last               296
_journal_volume                  85
_journal_year                    1933
_chemical_formula_structural     Sb2O4
_chemical_formula_sum            'O2 Sb'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.24
_cell_length_b                   10.24
_cell_length_c                   10.24
_cell_formula_units_Z            32
_cell_volume                     1073.742
_exptl_crystal_density_diffrn    7.609
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Sb O2'
_cod_database_code               9011408
_cod_duplicate_entry 1010112
The symmetry and crystal structure of manganite, Mn(OH)O Locality: Ilfeld, Germany
Buerger, M. J.; Zeitschrift fur Kristallographie 95 (1936) 163–174; doi:

data_9011409
_publ_section_title
;
 The symmetry and crystal structure of manganite, Mn(OH)O
 Locality: Ilfeld, Germany
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              163
_journal_page_last               174
_journal_volume                  95
_journal_year                    1936
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Manganite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc (x+1/2*z,y,1/2*z)'
_space_group_name_H-M_alt        'B 1 21/d 1'
_symmetry_space_group_name_H-M   'B 1 21/d 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.86
_cell_length_b                   5.24
_cell_length_c                   5.7
_cell_formula_units_Z            8
_cell_volume                     264.630
_exptl_crystal_density_diffrn    4.364
_cod_original_sg_symbol_H-M      'B 21/d'
_cod_database_code               9011409
_database_code_amcsd 0010565
Die struktur des pentacalciumtrialuminats
Bussem, W.; Eitel, A.; Zeitschrift fur Kristallographie 95 (1936) 175–188; doi:

data_9011410
_publ_section_title
;
 Die struktur des pentacalciumtrialuminats
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              175
_journal_page_last               188
_journal_volume                  95
_journal_year                    1936
_chemical_formula_sum            'Al7 Ca6 O16'
_chemical_name_mineral           Mayenite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.97
_cell_length_b                   11.97
_cell_length_c                   11.97
_cell_formula_units_Z            4
_cell_volume                     1715.072
_exptl_crystal_density_diffrn    2.654
_cod_original_formula_sum        'Ca6 Al7 O16'
_cod_database_code               9011410
_cod_duplicate_entry 8104354
The crystal structure of potassium acid dihydronium pentaborate KH~2~(H~3~O)~2~B~5~O~10~, (potassium pentaborate tetrahydrate)
Zachariasen, W. H.; Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 98 (1938) 266–274; doi:10.1524/zkri.1938.98.1.266

data_9011411
_publ_section_title
;
 The crystal structure of potassium acid dihydronium pentaborate
 KH~2~(H~3~O)~2~B~5~O~10~, (potassium pentaborate tetrahydrate)
;
_journal_coden_ASTM              ZKKKAJ
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              266
_journal_page_last               274
_journal_paper_doi               10.1524/zkri.1938.98.1.266
_journal_volume                  98
_journal_year                    1938
_chemical_compound_source        synthetic
_chemical_formula_sum            'B5 K O12'
_chemical_name_mineral           Santite
_chemical_name_systematic        'Potassium pentaborate tetrahydrate'
_space_group_IT_number           41
_space_group_name_Hall           'A 2 -2ab'
_space_group_name_H-M_alt        'A e a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.08
_cell_length_b                   11.14
_cell_length_c                   8.97
_cell_volume                     1107.178
_database_code_amcsd             0010569
_exptl_crystal_density_diffrn    1.711
_cod_duplicate_entry             1011124
_cod_original_sg_symbol_H-M      'A b a 2'
_cod_original_formula_sum        'K B5 O12'
_cod_database_code               9011411
Uber die kristallstruktur von alpha-AlOOH (diaspore) und alpha-Fe OOH(nadeleisenerz) Locality: Synthetic
Hoppe, W.; Zeitschrift fur Kristallographie 103 (1940) 73–89; doi:

data_9011412
_publ_section_title
;Uber die kristallstruktur von alpha-AlOOH (diaspore) und alpha-Fe
 OOH(nadeleisenerz) Locality: Synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              73
_journal_page_last               89
_journal_volume                  103
_journal_year                    1940
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O2'
_chemical_name_mineral           Goethite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.59
_cell_length_b                   10.0
_cell_length_c                   3.03
_cell_formula_units_Z            4
_cell_volume                     139.077
_database_code_amcsd             0010571
_exptl_crystal_density_diffrn    4.195
_cod_database_code               9011412
Uber die kristallstruktur von alpha-AlOOH (diaspore). II. Fourieranalyse
Hoppe, W.; Zeitschrift fur Kristallographie 104 (1942) 11–17; doi:

data_9011413
_publ_section_title
;
 Uber die kristallstruktur von alpha-AlOOH (diaspore). II. Fourieranalyse
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              11
_journal_page_last               17
_journal_volume                  104
_journal_year                    1942
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al O2'
_chemical_name_mineral           Diaspore
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.42
_cell_length_b                   9.44
_cell_length_c                   2.84
_cell_formula_units_Z            4
_cell_volume                     118.498
_database_code_amcsd             0010572
_exptl_crystal_density_diffrn    3.306
_cod_database_code               9011413
The crystallography of silver sulfide, Ag2S
Frueh, A. J.; Zeitschrift fur Kristallographie 110 (1958) 136–144; doi:

data_9011414
_publ_section_title
;
 The crystallography of silver sulfide, Ag2S
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              136
_journal_page_last               144
_journal_volume                  110
_journal_year                    1958
_chemical_compound_source        'Freiberg, Saxony, Germany'
_chemical_formula_sum            'Ag2 S'
_chemical_name_mineral           Acanthite
_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                 99.58
_cell_angle_gamma                90
_cell_length_a                   4.23
_cell_length_b                   6.91
_cell_length_c                   7.87
_cell_formula_units_Z            4
_cell_volume                     226.827
_database_code_amcsd             0010584
_exptl_crystal_density_diffrn    7.256
_cod_database_code               9011414
Refinement of the structure of anthraquinone
Murty, B. V. R.; Zeitschrift fur Kristallographie 113 (1960) 445–465; doi:10.1524/zkri.1960.113.1-6.445

data_9011415
_publ_section_title
;
 Refinement of the structure of anthraquinone
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              445
_journal_page_last               465
_journal_paper_doi               10.1524/zkri.1960.113.1-6.445
_journal_volume                  113
_journal_year                    1960
_chemical_formula_sum            'C7 H4 O'
_chemical_name_mineral           Hoelite
_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                 102.72
_cell_angle_gamma                90
_cell_length_a                   15.810
_cell_length_b                   3.942
_cell_length_c                   7.865
_cell_formula_units_Z            4
_cell_volume                     478.141
_exptl_crystal_density_diffrn    1.446
_cod_depositor_comments
;
 Fixing a mistake made while adding _atom_site_type_symbol values -- 
 changing the value of CB* from 'H' to 'C'. 

 Antanas Vaitkus
 2013-10-14
 
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-02
;
_cod_original_formula_sum        'C7 O H4'
_cod_database_code               9011415
_database_code_amcsd 0010586
The crystal structure of stibnite. A redetermination of atomic positions
Scavnicar, S.; Zeitschrift fur Kristallographie 114 (1960) 85–97; doi:

data_9011416
_publ_section_title
;
 The crystal structure of stibnite. A redetermination of atomic positions
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              85
_journal_page_last               97
_journal_volume                  114
_journal_year                    1960
_chemical_compound_source        Synthetic
_chemical_formula_sum            'S3 Sb2'
_chemical_name_mineral           Stibnite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.25
_cell_length_b                   11.33
_cell_length_c                   3.83
_cell_formula_units_Z            4
_cell_volume                     488.181
_database_code_amcsd             0010587
_exptl_crystal_density_diffrn    4.622
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9011416
The crystal structure of hodgkinsonite Zn2Mn[(OH)2|SiO4] Note: y(H2) corrected
Rentzeperis, P. J.; Zeitschrift fur Kristallographie 119 (1963) 117–138; doi:

data_9011417
_publ_section_title
;
 The crystal structure of hodgkinsonite Zn2Mn[(OH)2|SiO4]
 Note: y(H2) corrected
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              117
_journal_page_last               138
_journal_volume                  119
_journal_year                    1963
_chemical_compound_source        'Franklin, New Jersey'
_chemical_formula_sum            'H2 Mn O6 Si Zn2'
_chemical_name_mineral           Hodgkinsonite
_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                 95.25
_cell_angle_gamma                90
_cell_length_a                   8.170
_cell_length_b                   5.316
_cell_length_c                   11.761
_cell_formula_units_Z            4
_cell_volume                     508.658
_database_code_amcsd             0010606
_exptl_crystal_density_diffrn    4.072
_cod_original_formula_sum        'Zn2 Mn Si O6 H2'
_cod_database_code               9011417
Erneute strukturbestimmung von bariumnitrat mit neutronenbeugung
Birnstock, R.; Zeitschrift fur Kristallographie 124 (1967) 310–334; doi:

data_9011418
_publ_section_title
;
 Erneute strukturbestimmung von bariumnitrat mit neutronenbeugung
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              310
_journal_page_last               334
_journal_volume                  124
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba N2 O6'
_chemical_name_mineral           Nitrobarite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.126
_cell_length_b                   8.126
_cell_length_c                   8.126
_cell_volume                     536.575
_database_code_amcsd             0010639
_exptl_crystal_density_diffrn    3.235
_cod_database_code               9011418
Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei inkommensurablen teilgittern Note: one of two substructures in koenenite
Allmann, R.; Lohse, H. N.; Hellner, E.; Zeitschrift fur Kristallographie 126 (1968) 7–22; doi:

data_9011419
_publ_section_title
;
 Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
 inkommensurablen teilgittern
 Note: one of two substructures in koenenite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              7
_journal_page_last               22
_journal_volume                  126
_journal_year                    1968
_chemical_formula_sum            'Ca0.222 Cl2 Mg0.111 Na0.667'
_chemical_name_mineral           Koenenite
_space_group_IT_number           166
_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                   4.072
_cell_length_b                   4.072
_cell_length_c                   32.64
_cell_formula_units_Z            3
_cell_volume                     468.701
_database_code_amcsd             0010653
_exptl_crystal_density_diffrn    1.040
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        '(Na.667 Ca.222 Mg.111) Cl2'
_cod_database_code               9011419
Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei inkommensurablen teilgittern Note: one of two substructures in koenenite
Allmann, R.; Lohse, H. N.; Hellner, E.; Zeitschrift fur Kristallographie 126 (1968) 7–22; doi:

data_9011420
_publ_section_title
;
 Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
 inkommensurablen teilgittern
 Note: one of two substructures in koenenite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              7
_journal_page_last               22
_journal_volume                  126
_journal_year                    1968
_chemical_formula_sum            'Al0.364 H2 Mg0.636 O2'
_chemical_name_mineral           Koenenite
_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_length_a                   3.052
_cell_length_b                   3.052
_cell_length_c                   10.880
_cell_formula_units_Z            1
_cell_volume                     87.766
_database_code_amcsd             0010654
_exptl_crystal_density_diffrn    1.122
_cod_original_formula_sum        '(Mg.636 Al.364) (O2 H2)'
_cod_database_code               9011420
Zur kristallstruktur von lanarkit, Pb2O(SO4)
Sahl, K.; Zeitschrift fur Kristallographie 132 (1970) 99–117; doi:

data_9011421
_publ_section_title
;
 Zur kristallstruktur von lanarkit, Pb2O(SO4)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              99
_journal_page_last               117
_journal_volume                  132
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O5 Pb2 S'
_chemical_name_mineral           Lanarkite
_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                 115.93
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.769
_cell_length_b                   5.698
_cell_length_c                   7.079
_cell_volume                     499.477
_database_code_amcsd             0010717
_exptl_crystal_density_diffrn    7.001
_cod_original_formula_sum        'Pb2 S O5'
_cod_database_code               9011421