LMucko/crystallography-open-database huggingface dataset:
La2 Mo O6, ein Lanthanoxymolybdat mit Schichtenstruktur
Sillen, L.G.; Lundborg, K.; Zeitschrift fuer Anorganische und Allgemeine Chemie 252 (1943) 2–8; doi:

data_1539106
_publ_section_title
;
 La2 Mo O6, ein Lanthanoxymolybdat mit Schichtenstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2
_journal_page_last               8
_journal_volume                  252
_journal_year                    1943
_chemical_formula_sum            'La2 Mo O6'
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.089
_cell_length_b                   4.089
_cell_length_c                   15.99
_cell_volume                     267.352
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sillen_ZAACAB_1943_846.cif
_cod_data_source_block           La2Mo1O6
_cod_original_cell_volume        267.3516
_cod_original_formula_sum        'La2 Mo1 O6'
_cod_database_code               1539106
Ein Cadmium - Wismut-Oxyd mit unvollstaendigem Sauerstoffgitter.
Sillen, L.G.; Sillen, B.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 49 (1941) 27–33; doi:

data_1539107
_publ_section_title
;
 Ein Cadmium - Wismut-Oxyd mit unvollstaendigem Sauerstoffgitter.
;
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der 
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              27
_journal_page_last               33
_journal_volume                  49
_journal_year                    1941
_chemical_formula_sum            'Bi1.5 Cd0.5 O2.75'
_chemical_name_systematic        'Cd.5 Bi1.5 O2.75'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.462
_cell_length_b                   8.462
_cell_length_c                   8.462
_cell_volume                     605.925
_citation_journal_id_ASTM        ZPCBAL
_cod_data_source_file            Sillen_ZPCBAL_1941_1564.cif
_cod_data_source_block           Bi1.5Cd0.5O2.75
_cod_original_cell_volume        605.9252
_cod_database_code               1539107
Nb3 Br8-beta und Mb3 I8-beta Darstellung, Eigenschaften und Struktur
Simon, A.; von Schnering, H.G.; Journal of the Less-Common Metals 11 (1966) 31–46; doi:

data_1539108
_publ_section_title
;
 Nb3 Br8-beta und Mb3 I8-beta Darstellung, Eigenschaften und Struktur
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              31
_journal_page_last               46
_journal_volume                  11
_journal_year                    1966
_chemical_formula_sum            'Br8 Nb3'
_chemical_name_systematic        'Nb3 Br8'
_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_formula_units_Z            6
_cell_length_a                   7.08
_cell_length_b                   7.08
_cell_length_c                   38.975
_cell_volume                     1691.933
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Simon_JCOMAH_1966_961.cif
_cod_data_source_block           Br8Nb3
_cod_database_code               1539108
Nb3 Br8-beta und Nb3 I8-beta Darstellung, Eigenschaften und Struktur
Simon, A.; von Schnering, H.G.; Journal of the Less-Common Metals 11 (1966) 31–46; doi:

data_1539109
_publ_section_title
;
 Nb3 Br8-beta und Nb3 I8-beta Darstellung, Eigenschaften und Struktur
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              31
_journal_page_last               46
_journal_volume                  11
_journal_year                    1966
_chemical_formula_sum            'I8 Nb3'
_chemical_name_systematic        'Nb3 I8'
_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_formula_units_Z            6
_cell_length_a                   7.6
_cell_length_b                   7.6
_cell_length_c                   41.715
_cell_volume                     2086.652
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Simon_JCOMAH_1966_962.cif
_cod_data_source_block           I8Nb3
_cod_database_code               1539109
Nb6 J11 - Eine Verbindung mit (Nb6 J8) - Gruppen
Simon, A.; von Schnering, H.G.; Schaefer, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 355 (1967) 295–310; doi:

data_1539110
_publ_section_title
;
 Nb6 J11 - Eine Verbindung mit (Nb6 J8) - Gruppen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              295
_journal_page_last               310
_journal_volume                  355
_journal_year                    1967
_chemical_formula_sum            'I11 Nb6'
_chemical_name_systematic        'Nb6 I11'
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.299
_cell_length_b                   15.309
_cell_length_c                   13.558
_cell_volume                     2345.214
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Simon_ZAACAB_1967_1094.cif
_cod_data_source_block           I11Nb6
_cod_database_code               1539110
Refined crystal structure of vimsite Ca (B2 O2 (O H)4)
Simonov, M.A.; Belov, N.V.; Egorov-Tismenko, Yu.K.; Kristallografiya 21 (1976) 592–594; doi:

data_1539111
_publ_section_title
;
 Refined crystal structure of vimsite Ca (B2 O2 (O H)4)
;
_journal_name_full               Kristallografiya
_journal_page_first              592
_journal_page_last               594
_journal_volume                  21
_journal_year                    1976
_chemical_formula_sum            'B2 Ca H4 O6'
_chemical_name_systematic        'Ca (B2 O2 (O H)4)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-B 2b'
_space_group_name_H-M_alt        'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                91.31
_cell_formula_units_Z            4
_cell_length_a                   10.026
_cell_length_b                   4.44
_cell_length_c                   9.558
_cell_volume                     425.367
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Simonov_KRISAJ_1976_624.cif
_cod_data_source_block           H4B2Ca1O6
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-22
;
_cod_original_cell_volume        425.3674
_cod_original_formula_sum        'H4 B2 Ca1 O6'
_cod_database_code               1539111
The crystal and molecular structure of arsenic tribromide at -10 C
Singh, A.K.; Swaminathan, S.; Current Science 33 (1964) 429–430; doi:

data_1539112
_publ_section_title
;
 The crystal and molecular structure of arsenic tribromide at -10 C
;
_journal_name_full               'Current Science'
_journal_page_first              429
_journal_page_last               430
_journal_volume                  33
_journal_year                    1964
_chemical_formula_sum            'As Br3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.148
_cell_length_b                   10.244
_cell_length_c                   4.34
_cell_volume                     540.087
_citation_journal_id_ASTM        CUSCAM
_cod_data_source_file            Singh_CUSCAM_1964_124.cif
_cod_data_source_block           As1Br3
_cod_original_cell_volume        540.0875
_cod_original_formula_sum        'As1 Br3'
_cod_database_code               1539112
Refinement of the crystal structure of arsenic tribromide
Singh, A.K.; Swaminathan, S.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 124 (1967) 375–377; doi:

data_8104272
_publ_section_title
;
 Refinement of the crystal structure of arsenic tribromide
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              375
_journal_page_last               377
_journal_volume                  124
_journal_year                    1967
_chemical_formula_sum            'As Br3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.244
_cell_length_b                   12.148
_cell_length_c                   4.34
_cell_volume                     540.087
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Singh_ZEKGAX_1967_368.cif
_cod_data_source_block           As1Br3
_cod_original_cell_volume        540.0875
_cod_original_formula_sum        'As1 Br3'
_cod_database_code               8104272
The crystal structure of cadmium indate
Skribljak, M.; Dasgupta, S.; Biswas, A.B.; Acta Crystallographica (1,1948-23,1967) 12 (1959) 1049–1050; doi:

data_2310964
_publ_section_title
;
 The crystal structure of cadmium indate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1049
_journal_page_last               1050
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Cd In2 O4'
_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                   9.115
_cell_length_b                   9.115
_cell_length_c                   9.115
_cell_volume                     757.304
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Skribljak_ACCRA9_1959_1387.cif
_cod_data_source_block           Cd1In2O4
_cod_original_cell_volume        757.3035
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Cd1 In2 O4'
_cod_database_code               2310964
Structure du Perrhenate de Gadolinium-Sodium Tetrahydrate Gd Na (Re O4)4 (H2 O)4
Slimane, A.A.; Sivestre, J.P.F.; Freundlich, W.; Rimsky, A.; Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1070–1074; doi:

data_2107177
_publ_section_title
;
 Structure du Perrhenate de Gadolinium-Sodium Tetrahydrate Gd Na (Re O4)4
 (H2 O)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1070
_journal_page_last               1074
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Gd H8 Na O20 Re4'
_chemical_name_systematic        'Gd Na (Re O4)4 (H2 O)4'
_space_group_IT_number           118
_symmetry_space_group_name_Hall  'P -4 -2n'
_symmetry_space_group_name_H-M   'P -4 n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.483
_cell_length_b                   12.483
_cell_length_c                   5.728
_cell_volume                     892.567
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Slimane_ACBCAR_1982_1726.cif
_cod_data_source_block           H8Gd1Na1O20Re4
_cod_original_cell_volume        892.5673
_cod_original_formula_sum        'H8 Gd1 Na1 O20 Re4'
_cod_database_code               2107177
The crystal structure of strontium dibromide
Smeggil, J.G.; Eick, H.A.; Inorganic Chemistry 10 (1971) 1458–1460; doi:

data_4344353
_publ_section_title
;
 The crystal structure of strontium dibromide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1458
_journal_page_last               1460
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'Br2 Sr'
_chemical_name_systematic        'Sr Br2'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   11.63
_cell_length_b                   11.63
_cell_length_c                   7.146
_cell_volume                     966.546
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Smeggil_INOCAJ_1971_1085.cif
_cod_data_source_block           Br2Sr1
_cod_original_cell_volume        966.5458
_cod_original_formula_sum        'Br2 Sr1'
_cod_database_code               4344353
The crystal structure of strontium hydroxide octahydrate, Sr (O H)2 (H2 O)8
Smith, H.G.; Acta Crystallographica (1,1948-23,1967) 6 (1953) 604–609; doi:

data_2310965
_publ_section_title
;
 The crystal structure of strontium hydroxide octahydrate, Sr (O H)2 (H2
 O)8
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              604
_journal_page_last               609
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'H18 O10 Sr'
_chemical_name_systematic        'Sr (O H)2 (H2 O)8'
_space_group_IT_number           130
_symmetry_space_group_name_Hall  'P 4ab 2n -1ab'
_symmetry_space_group_name_H-M   'P 4/n c c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9
_cell_length_b                   9
_cell_length_c                   11.58
_cell_volume                     937.980
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Smith_ACCRA9_1953_199.cif
_cod_data_source_block           H18O10Sr1
_cod_original_cell_volume        937.98
_cod_original_sg_symbol_Hall     '-P 4a 2ac (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'H18 O10 Sr1'
_cod_database_code               2310965
The crystal structure of proto-enstatite, Mg Si O3
Smith, J.V.; Acta Crystallographica (1,1948-23,1967) 12 (1959) 515–519; doi:

data_2310966
_publ_section_title
;
 The crystal structure of proto-enstatite, Mg Si O3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              515
_journal_page_last               519
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_systematic        'Mg (Si O3)'
_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_formula_units_Z            8
_cell_length_a                   9.25
_cell_length_b                   8.74
_cell_length_c                   5.32
_cell_volume                     430.095
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Smith_ACCRA9_1959_1366.cif
_cod_data_source_block           Mg1O3Si1
_cod_original_cell_volume        430.0954
_cod_original_formula_sum        'Mg1 O3 Si1'
_cod_database_code               2310966
The Crystal Structure of Uranium Pentachloride
Smith, G.S.; Johnson, Q.; Elson, R.E.; Acta Crystallographica (1,1948-23,1967) 22 (1967) 300–303; doi:

data_2310967
_publ_section_title
;
 The Crystal Structure of Uranium Pentachloride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              300
_journal_page_last               303
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Cl10 U2'
_chemical_name_systematic        '(Cl4 U Cl2 U Cl4)'
_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                 91.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.99
_cell_length_b                   10.69
_cell_length_c                   8.48
_cell_volume                     724.055
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Smith_ACCRA9_1967_1083.cif
_cod_data_source_block           Cl10U2
_cod_original_cell_volume        724.0548
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               2310967
The crystal structure of anhydrous zinc metaborate Zn4 O (B O2)6
Smith, P.; Rivoir, L.; Garcia-Blanco, S.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 119 (1964) 375–383; doi:

data_8104273
_publ_section_title
;
 The crystal structure of anhydrous zinc metaborate Zn4 O (B O2)6
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              375
_journal_page_last               383
_journal_volume                  119
_journal_year                    1964
_chemical_formula_sum            'B6 O13 Zn4'
_chemical_name_systematic        'Zn4 O (B O2)6'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.48
_cell_length_b                   7.48
_cell_length_c                   7.48
_cell_volume                     418.509
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Smith_ZEKGAX_1964_1814.cif
_cod_data_source_block           B6O13Zn4
_cod_database_code               8104273
The crystal chemistry of armacolites from apollo 17
Smyth, J.R.; Earth and Planetary Science Letters 24 (1974) 262–270; doi:

data_1539113
_publ_section_title
;
 The crystal chemistry of armacolites from apollo 17
;
_journal_name_full               'Earth and Planetary Science Letters'
_journal_page_first              262
_journal_page_last               270
_journal_volume                  24
_journal_year                    1974
_chemical_formula_sum            'Fe0.5 Mg0.5 O5 Ti2'
_chemical_name_systematic        '(Mg.5 Fe.5) Ti2 O5'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-B 2 2b'
_space_group_name_H-M_alt        'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.743
_cell_length_b                   10.001
_cell_length_c                   3.728
_cell_volume                     363.255
_citation_journal_id_ASTM        EPSLA2
_cod_data_source_file            Smyth_EPSLA2_1974_1775.cif
_cod_data_source_block           Fe0.5Mg0.5O5Ti2
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-23
;
_cod_original_cell_volume        363.2554
_cod_database_code               1539113
Unit cell dimension of face-centered cubic chromium hydride and space groups of two chromium hydrides
Snavely, C.A.; Vaughan, D.A.; Dale, A.; Journal of the American Chemical Society 71 (1949) 313–314; doi:

data_4124683
_publ_section_title
;
 Unit cell dimension of face-centered cubic chromium hydride and space
 groups of two chromium hydrides
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              313
_journal_page_last               314
_journal_volume                  71
_journal_year                    1949
_chemical_formula_sum            'Cr H2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.8605
_cell_length_b                   3.8605
_cell_length_c                   3.8605
_cell_volume                     57.535
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Snavely_JACSAT_1949_1466.cif
_cod_data_source_block           H2Cr1
_cod_original_cell_volume        57.53481
_cod_original_formula_sum        'H2 Cr1'
_cod_database_code               4124683
The crystal structures and isomerisation of the linkage isomers thiocyanato- and isothiocyanatopenta-amminecobalt(III) dichloride , (Co (S C N) (N H3)5) Cl2 H2 O and (Co (N C S) (N H3)5 Cl2
Snow, M.R.; Boomsma, R.F.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 1908–1913; doi:

data_2107178
_publ_section_title
;
 The crystal structures and isomerisation of the linkage isomers
 thiocyanato- and isothiocyanatopenta-amminecobalt(III) dichloride , (Co
 (S C N) (N H3)5) Cl2 H2 O and (Co (N C S) (N H3)5 Cl2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1908
_journal_page_last               1913
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C H15 Cl2 Co N6 S'
_chemical_name_systematic        '(Co (N C S) (N H3)5) Cl2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.16
_cell_length_b                   10.16
_cell_length_c                   10.16
_cell_volume                     1048.772
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Snow_ACBCAR_1972_1816.cif
_cod_data_source_block           C1H15Cl2Co1N6S1
_cod_original_formula_sum        'C1 H15 Cl2 Co1 N6 S1'
_cod_database_code               2107178