LMucko/crystallography-open-database huggingface dataset:
The Structure of Caesium Cobalt Chloride ( Cs~3~ Co Cl~5~ )
Powell, H M; Wells, A F; Journal of the Chemical Society 1935 (1935) 359–362; doi:

data_1010481
_publ_section_title
;
The Structure of Caesium Cobalt Chloride ( Cs~3~ Co Cl~5~ )
;
_journal_coden_ASTM              JCSOA9
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              359
_journal_page_last               362
_journal_volume                  1935
_journal_year                    1935
_chemical_formula_structural     'Cs3 Co Cl5'
_chemical_formula_sum            'Cl5 Co Cs3'
_chemical_name_systematic        'Tricaesium cobalt chloride'
_space_group_IT_number           140
_space_group_name_Hall           '-I 4 2c (x-1/4,y+1/4,z-1/4)'
_space_group_name_H-M_alt        'I 4/m c m (a+1/4,b-1/4,c+1/4)'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_H-M   'I 4/m c m (a+1/4,b-1/4,c+1/4)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.18
_cell_length_b                   9.18
_cell_length_c                   14.47
_cell_volume                     1219.4
_cod_original_sg_symbol_H-M      'I 4/m c m S'
_cod_database_code               1010481
The Stereochemistry of Quadricovalent Atoms: Copper and Silver
Cox, E G; Wardlaw, W; Webster, K C; Journal of the Chemical Society 1936 (1936) 775–781; doi:

data_1010482
_publ_section_title
;
The Stereochemistry of Quadricovalent Atoms: Copper and Silver
;
_journal_coden_ASTM              JCSOA9
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              775
_journal_page_last               781
_journal_volume                  1936
_journal_year                    1936
_chemical_formula_structural     'Cu (C2 H5 N S)4 Cl'
_chemical_formula_sum            'C8 H20 Cl Cu N4 S4'
_chemical_name_systematic        'Tetrakisthioacetamide copper(I) chloride'
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.43
_cell_length_b                   12.43
_cell_length_c                   5.52
_cell_volume                     852.9
_exptl_crystal_density_meas      1.56
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11

 Correcting the _chemical_formula_sum data item value by changing it from
 'Cl Cu H20 N4 S4' to 'C8 H20 Cl Cu N4 S4'.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'H20 Cl Cu N4 S4'
_cod_database_code               1010482
The Stereochemistry of Quadricovalent Atoms: Copper and Silver
Cox, E G; Wardlaw, W; Webster, K C; Journal of the Chemical Society 1936 (1936) 775–781; doi:

data_1010483
_publ_section_title
;
The Stereochemistry of Quadricovalent Atoms: Copper and Silver
;
_journal_coden_ASTM              JCSOA9
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              775
_journal_page_last               781
_journal_volume                  1936
_journal_year                    1936
_chemical_formula_structural     'Ag (C2 H5 N S)4 Cl'
_chemical_formula_sum            'C8 H20 Ag Cl N4 S4'
_chemical_name_systematic        'Tetrakisthioacetamide silver(I) chloride'
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.59
_cell_length_b                   12.59
_cell_length_c                   5.37
_cell_volume                     851.2
_exptl_crystal_density_meas      1.67
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11

 Correcting the _chemical_formula_sum data item value by changing it from
 'Ag Cl H20 N4 S4' to 'C8 H20 Ag Cl N4 S4'.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'H20 Ag Cl N4 S4'
_cod_database_code               1010483
Ueber die Struktur des Magnesiumhydroxides.
Aminoff, G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 56 (1921) 505–509; doi:

data_1010484
_publ_section_title              'Ueber die Struktur des Magnesiumhydroxides.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              505
_journal_page_last               509
_journal_volume                  56
_journal_year                    1921
_chemical_formula_structural     'Mg (O H)2'
_chemical_formula_sum            'H2 Mg O2'
_chemical_name_systematic        'Magnesium hydroxide'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.13
_cell_length_b                   3.13
_cell_length_c                   4.75
_cell_volume                     40.3
_cod_database_code               1010484
Ueber die Struktur des Natriumchlorats.
Wulff, G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 57 (1922) 190–200; doi:

data_1010485
_publ_section_title              'Ueber die Struktur des Natriumchlorats.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              190
_journal_page_last               200
_journal_volume                  57
_journal_year                    1922
_chemical_formula_structural     'Na Cl O3'
_chemical_formula_sum            'Cl Na O3'
_chemical_name_systematic        'Sodium chlorate'
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   6.56
_cell_length_b                   6.56
_cell_length_c                   6.56
_cell_volume                     282.3
_exptl_crystal_density_meas      2.5
_cod_database_code               1010485
Die Kristallstruktur einiger Oxyde I.
Niggli, P; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 57 (1922) 253–299; doi:

data_1010486
_publ_section_title              'Die Kristallstruktur einiger Oxyde I.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              253
_journal_page_last               299
_journal_volume                  57
_journal_year                    1922
_chemical_formula_structural     'Ag2 O'
_chemical_formula_sum            'Ag2 O'
_chemical_name_systematic        'Silver oxide'
_space_group_IT_number           224
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.718
_cell_length_b                   4.718
_cell_length_c                   4.718
_cell_volume                     105.0
_cod_original_sg_symbol_H-M      'P n -3 m S'
_cod_database_code               1010486
Ueber feinbauliche Versuche zur Konstitution des Natriumhydrofluorids unter Verwendung der Atombereiche und ueber die roentgenographische Erforschung dieser Verbindung.
Rinne, F; Hentschel, H; Leonhardt, J; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 58 (1923) 629–640; doi:

data_1010487
_publ_section_title
;
Ueber feinbauliche Versuche zur Konstitution des Natriumhydrofluorids
unter Verwendung der Atombereiche und ueber die roentgenographische
Erforschung dieser Verbindung.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              629
_journal_page_last               640
_journal_volume                  58
_journal_year                    1923
_chemical_formula_structural     'Na H F2'
_chemical_formula_sum            'F2 H Na'
_chemical_name_systematic        'Sodium hydrogen difluoride'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                39.73(5)
_cell_angle_beta                 39.73(5)
_cell_angle_gamma                39.73(5)
_cell_formula_units_Z            1
_cell_length_a                   5.17(5)
_cell_length_b                   5.17(5)
_cell_length_c                   5.17(5)
_cell_volume                     50.8
_exptl_crystal_density_meas      2.09
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_original_formula_sum        'H F2 Na'
_cod_database_code               1010487
Ueber ein neues Mineral von Langban.
Aminoff, G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 60 (1924) 262–274; doi:

data_1010488
_publ_section_title              'Ueber ein neues Mineral von Langban.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              262
_journal_page_last               274
_journal_volume                  60
_journal_year                    1924
_chemical_formula_structural     'Na Sb (Al O3)2'
_chemical_formula_sum            'Al2 Na O6 Sb'
_chemical_name_systematic        'Sodium antimony(V) dialuminium oxide'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.4
_cell_length_b                   5.4
_cell_length_c                   8.81
_cell_volume                     222.5
_exptl_crystal_density_meas      4.28
_cod_database_code               1010488
Das Gitter des festen Kohlendioxyds
Mark, H.; Pohland, E.; Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 61 (1924) 293–298; doi:10.1524/zkri.1924.61.1.293

data_1010489
_publ_section_title              'Das Gitter des festen Kohlendioxyds'
_journal_coden_ASTM              ZKKKAJ
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              293
_journal_page_last               298
_journal_paper_doi               10.1524/zkri.1924.61.1.293
_journal_volume                  61
_journal_year                    1924
_chemical_formula_structural     'C O2'
_chemical_formula_sum            'C O2'
_chemical_name_systematic        'Carbon dioxide'
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.62
_cell_length_b                   5.62
_cell_length_c                   5.62
_cell_volume                     177.5
_exptl_crystal_density_meas      1.63
_cod_database_code               1010489
Das Gitter des Ammoniaks.
Mark, H; Pohland, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 61 (1925) 532–537; doi:

data_1010490
_publ_section_title              'Das Gitter des Ammoniaks.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              532
_journal_page_last               537
_journal_volume                  61
_journal_year                    1925
_chemical_formula_structural     'N H3'
_chemical_formula_sum            'H3 N'
_chemical_name_systematic        Ammonia
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   5.193
_cell_length_b                   5.193
_cell_length_c                   5.193
_cell_volume                     140.0
_exptl_crystal_density_meas      0.8
_cod_database_code               1010490
Ueber die Gitterstruktur des Aethans und des Diborans.
Mark, H; Pohland, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 62 (1925) 103–112; doi:

data_1010491
_publ_section_title
;
Ueber die Gitterstruktur des Aethans und des Diborans.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              103
_journal_page_last               112
_journal_volume                  62
_journal_year                    1925
_chemical_formula_structural     'B2 H6'
_chemical_formula_sum            'B2 H6'
_chemical_name_systematic        Diborane
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.54
_cell_length_b                   4.54
_cell_length_c                   8.69
_cell_volume                     155.1
_exptl_crystal_density_meas      0.58
_cod_original_formula_sum        'H6 B2'
_cod_database_code               1010491
Das Gitter des festen Kohlendioxyds
de Smedt, J.; Keesom, W. H.; Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 62 (1925) 312–313; doi:10.1524/zkri.1925.62.1.312

data_1010492
_publ_section_title              'Das Gitter des festen Kohlendioxyds'
_journal_coden_ASTM              ZKKKAJ
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              312
_journal_page_last               313
_journal_paper_doi               10.1524/zkri.1925.62.1.312
_journal_volume                  62
_journal_year                    1925
_chemical_formula_structural     'C O2'
_chemical_formula_sum            'C O2'
_chemical_name_systematic        'Carbon dioxide'
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.62
_cell_length_b                   5.62
_cell_length_c                   5.62
_cell_volume                     177.5
_cod_database_code               1010492
Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag~3~ X O~4~).
Wyckoff, R W G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 62 (1925) 529–539; doi:

data_1010493
_publ_section_title
;
Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag~3~ X
O~4~).
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              529
_journal_page_last               539
_journal_volume                  62
_journal_year                    1925
_chemical_formula_structural     'Ag3 P O4'
_chemical_formula_sum            'Ag3 O4 P'
_chemical_name_systematic        'Silver phosphate'
_space_group_IT_number           218
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   5.996
_cell_length_b                   5.996
_cell_length_c                   5.996
_cell_volume                     215.6
_cod_database_code               1010493
Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag~3~ X O~4~).
Wyckoff, R W G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 62 (1925) 529–539; doi:

data_1010494
_publ_section_title
;
Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag~3~ X
O~4~).
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              529
_journal_page_last               539
_journal_volume                  62
_journal_year                    1925
_chemical_formula_structural     'Ag3 As O4'
_chemical_formula_sum            'Ag3 As O4'
_chemical_name_systematic        'Silver arsenate'
_space_group_IT_number           218
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   6.124
_cell_length_b                   6.124
_cell_length_c                   6.124
_cell_volume                     229.7
_cod_database_code               1010494
Das Gitter des Monohydrats des Li Cl (Li Cl + H~2~ O)
Ott, H.; Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 63 (1926) 231–235; doi:10.1524/zkri.1926.63.1.231

data_1010495
_publ_section_title
;
 Das Gitter des Monohydrats des Li Cl (Li Cl + H~2~ O)
;
_journal_coden_ASTM              ZKKKAJ
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              231
_journal_page_last               235
_journal_paper_doi               10.1524/zkri.1926.63.1.231
_journal_volume                  63
_journal_year                    1926
_chemical_formula_structural     'Li Cl H2 O'
_chemical_formula_sum            'Cl H2 Li O'
_chemical_name_systematic        'Lithium chloride hydrate'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.83
_cell_length_b                   3.83
_cell_length_c                   3.83
_cell_volume                     56.2
_exptl_crystal_density_meas      1.78
_cod_original_formula_sum        'H2 Cl Li O'
_cod_database_code               1010495
Die Kristallstruktur des festen Kohlendioxyds.
Kruener, H; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63 (1926) 275–283; doi:

data_1010496
_publ_section_title
;
Die Kristallstruktur des festen Kohlendioxyds.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              275
_journal_page_last               283
_journal_volume                  63
_journal_year                    1926
_chemical_formula_structural     'C O2'
_chemical_formula_sum            'C O2'
_chemical_name_systematic        'Carbon dioxide'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.63
_cell_length_b                   5.63
_cell_length_c                   5.63
_cell_volume                     178.5
_cod_database_code               1010496
Die Struktur des Olivins.
Bragg, W L; Brown, G B; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63 (1926) 538–556; doi:

data_1010497
_publ_section_title              'Die Struktur des Olivins.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              538
_journal_page_last               556
_journal_volume                  63
_journal_year                    1926
_chemical_formula_structural     'Fe0.2 Mg1.8 Si O4'
_chemical_formula_sum            'Fe0.2 Mg1.8 O4 Si'
_chemical_name_mineral           Olivine
_chemical_name_systematic        'Magnesium iron(II) silicate (1.8/.2/1)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.755
_cell_length_b                   10.21
_cell_length_c                   5.985
_cell_volume                     290.6
_cod_original_formula_sum        'Fe.2 Mg1.8 O4 Si'
_cod_database_code               1010497