LMucko/crystallography-open-database huggingface dataset:
Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3
Boettcher, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 461 (1980) 13–21; doi:

data_1527165
_publ_section_title
;
 Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2
 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              13
_journal_page_last               21
_journal_volume                  461
_journal_year                    1980
_chemical_formula_sum            'Rb2 Se3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.856
_cell_length_b                   10.858
_cell_length_c                   7.977
_cell_volume                     680.442
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Boettcher_ZAACAB_1980_903.cif
_cod_data_source_block           Rb2Se3
_cod_original_cell_volume        680.4417
_cod_database_code               1527165
Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3
Boettcher, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 461 (1980) 13–21; doi:

data_1527166
_publ_section_title
;
 Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2
 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              13
_journal_page_last               21
_journal_volume                  461
_journal_year                    1980
_chemical_formula_sum            'Cs2 S3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.712
_cell_length_b                   10.939
_cell_length_c                   8.111
_cell_volume                     684.257
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Boettcher_ZAACAB_1980_904.cif
_cod_data_source_block           Cs2S3
_cod_original_cell_volume        684.2567
_cod_database_code               1527166
Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3
Boettcher, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 461 (1980) 13–21; doi:

data_1527167
_publ_section_title
;
 Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2
 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              13
_journal_page_last               21
_journal_volume                  461
_journal_year                    1980
_chemical_formula_sum            'Cs2 Se3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.015
_cell_length_b                   11.406
_cell_length_c                   8.282
_cell_volume                     757.133
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Boettcher_ZAACAB_1980_905.cif
_cod_data_source_block           Cs2Se3
_cod_original_cell_volume        757.1329
_cod_database_code               1527167
A second configuration for the octacyanide group. The crystal structure of Na3 W (C N)8 (H2 O)4
Bok, L.D.C.; Leipoldt, J.G.; Basson, S.S.; Acta Crystallographica B (24,1968-38,1982) 26 (1970) 684–692; doi:

data_2106258
_publ_section_title
;
 A second configuration for the octacyanide group. The crystal structure
 of Na3 W (C N)8 (H2 O)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              684
_journal_page_last               692
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'C8 H8 N8 Na3 O4 W'
_chemical_name_systematic        'Na3 W (C N)8 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.75
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.126
_cell_length_b                   16.13
_cell_length_c                   17.42
_cell_volume                     1715.400
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bok_ACBCAR_1970_1804.cif
_cod_data_source_block           C8H8N8Na3O4W1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09
;
_cod_original_cell_volume        1715.4
_cod_original_formula_sum        'C8 H8 N8 Na3 O4 W1'
_cod_database_code               2106258
Neutron diffraction investigation of orthorhombic lead(II) fluoride
Boldrini, P.; Loopstra, B.O.; Acta Crystallographica (1,1948-23,1967) 22 (1967) 744–745; doi:

data_2310346
_publ_section_title
;
 Neutron diffraction investigation of orthorhombic lead(II) fluoride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              744
_journal_page_last               745
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'F2 Pb'
_chemical_name_systematic        'Pb F2'
_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_formula_units_Z            4
_cell_length_a                   6.44
_cell_length_b                   3.899
_cell_length_c                   7.651
_cell_volume                     192.113
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Boldrini_ACCRA9_1967_1068.cif
_cod_data_source_block           F2Pb1
_cod_original_cell_volume        192.1132
_cod_original_formula_sum        'F2 Pb1'
_cod_database_code               2310346
The crystal structure of mercuric sulphate monohydrate
Bonefacic, A.; Acta Crystallographica (1,1948-23,1967) 14 (1961) 116–119; doi:

data_2310347
_publ_section_title
;
 The crystal structure of mercuric sulphate monohydrate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              116
_journal_page_last               119
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'H2 Hg O5 S'
_chemical_name_systematic        'Hg (S O4) (H2 O)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.42
_cell_length_b                   8.94
_cell_length_c                   7.82
_cell_volume                     378.917
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bonefacic_ACCRA9_1961_1439.cif
_cod_data_source_block           H2Hg1O5S1
_cod_original_cell_volume        378.9165
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'H2 Hg1 O5 S1'
_cod_database_code               2310347
The crystal structure of potassium thioferrite K Fe S2 and sodium thiochromite Na Cr S2
Boon, J.W.; MacGillavry, C.H.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 61 (1942) 910–920; doi:

data_1527168
_publ_section_title
;
 The crystal structure of potassium thioferrite K Fe S2 and sodium
 thiochromite Na Cr S2
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              910
_journal_page_last               920
_journal_volume                  61
_journal_year                    1942
_chemical_formula_sum            'Fe K S2'
_chemical_name_systematic        'K (Fe S2)'
_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                 112.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.05
_cell_length_b                   11.28
_cell_length_c                   5.4
_cell_volume                     396.741
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Boon_RTCPA3_1942_1528.cif
_cod_data_source_block           Fe1K1S2
_cod_original_cell_volume        396.7412
_cod_original_formula_sum        'Fe1 K1 S2'
_cod_database_code               1527168
The crystal structure of potassium thioferrite K Fe S2 and sodium thiochromite Na Cr S2
Boon, J.W.; MacGillavry, C.H.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 61 (1942) 910–920; doi:

data_1527169
_publ_section_title
;
 The crystal structure of potassium thioferrite K Fe S2 and sodium
 thiochromite Na Cr S2
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              910
_journal_page_last               920
_journal_volume                  61
_journal_year                    1942
_chemical_formula_sum            'Cr Na S2'
_chemical_name_systematic        'Na (Cr S2)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                29.8
_cell_angle_beta                 29.8
_cell_angle_gamma                29.8
_cell_formula_units_Z            1
_cell_length_a                   6.87
_cell_length_b                   6.87
_cell_length_c                   6.87
_cell_volume                     70.915
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Boon_RTCPA3_1942_1529.cif
_cod_data_source_block           Cr1Na1S2
_cod_original_cell_volume        70.91464
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Cr1 Na1 S2'
_cod_database_code               1527169
Structures cristallines de la metavariscite et de la metastrengite
Borensztajn, J.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 89 (1966) 428–438; doi:

data_1527170
_publ_section_title
;
 Structures cristallines de la metavariscite et de la metastrengite
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              428
_journal_page_last               438
_journal_volume                  89
_journal_year                    1966
_chemical_formula_sum            'Al H4 O6 P'
_chemical_name_systematic        'Al (P O4) (H2 O)2'
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.14
_cell_length_b                   9.45
_cell_length_c                   8.45
_cell_volume                     410.442
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Borensztajn_BUFCAE_1966_1690.cif
_cod_data_source_block           H4Al1O6P1
_cod_original_cell_volume        410.4418
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H4 Al1 O6 P1'
_cod_database_code               1527170
Structure cristallines de la metavariscite et de la metastrengite
Borensztajn, J.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 89 (1966) 428–438; doi:

data_1527171
_publ_section_title
;
 Structure cristallines de la metavariscite et de la metastrengite
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              428
_journal_page_last               438
_journal_volume                  89
_journal_year                    1966
_chemical_formula_sum            'Fe H4 O6 P'
_chemical_name_systematic        'Fe (P O4) (H2 O)2'
_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                 90.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.32
_cell_length_b                   9.75
_cell_length_c                   8.65
_cell_volume                     448.651
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Borensztajn_BUFCAE_1966_1691.cif
_cod_data_source_block           H4Fe1O6P1
_cod_original_cell_volume        448.6509
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H4 Fe1 O6 P1'
_cod_database_code               1527171
The crystal structure of Pr2 W2 O9
Borisov, S.V.; Klevtsova, R.F.; Kristallografiya 15 (1970) 38–42; doi:

data_1527172
_publ_section_title
;
 The crystal structure of Pr2 W2 O9
;
_journal_name_full               Kristallografiya
_journal_page_first              38
_journal_page_last               42
_journal_volume                  15
_journal_year                    1970
_chemical_formula_sum            'O9 Pr2 W2'
_chemical_name_systematic        'Pr2 (W2 O9)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7
_cell_length_b                   9.84
_cell_length_c                   9.27
_cell_volume                     673.446
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Borisov_KRISAJ_1970_1881.cif
_cod_data_source_block           O9Pr2W2
_cod_original_cell_volume        673.4456
_cod_database_code               1527172
Phase relations in the system Se-Se Cl4 and the crystal structure of a metastable modification of Se Cl4
Born, P.; Mootz, D.; Kniep, R.; Hein, M.; Krebs, B.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 36 (1981) 1516–1519; doi:

data_7221331
_publ_section_title
;
 Phase relations in the system Se-Se Cl4 and the crystal structure of a
 metastable modification of Se Cl4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1516
_journal_page_last               1519
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'Cl4 Se'
_chemical_name_systematic        'Se Cl4'
_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                 116.95
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   16.548
_cell_length_b                   9.81
_cell_length_c                   15.029
_cell_volume                     2174.795
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Born_ZNBAD2_1981_1546.cif
_cod_data_source_block           Cl4Se1
_cod_original_cell_volume        2174.796
_cod_original_formula_sum        'Cl4 Se1'
_cod_database_code               7221331
Crystal and molecular structure of penta-amminenitroruthenium(II) chloride hydrate
Bottomley, F.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1972 (1972) 2148–2152; doi:

data_4031224
_publ_section_title
;
 Crystal and molecular structure of penta-amminenitroruthenium(II)
 chloride hydrate
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2148
_journal_page_last               2152
_journal_volume                  1972
_journal_year                    1972
_chemical_formula_sum            'Cl H17 N6 O3 Ru'
_chemical_name_systematic        '(Ru (N H3)5 (N O2)) Cl (H2 O)'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2c'
_symmetry_space_group_name_H-M   'C c m 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.805
_cell_length_b                   7.271
_cell_length_c                   7.022
_cell_volume                     1011.183
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Bottomley_JCDTBI_1972_1834.cif
_cod_data_source_block           H17Cl1N6O3Ru1
_cod_original_sg_symbol_Hall     'C 2c -2 (y,-x,z)'
_cod_original_formula_sum        'H17 Cl1 N6 O3 Ru1'
_cod_database_code               4031224
Reinvestigation of the Crystal and Molecular Structures of Pentaamminenitrosylruthenium Trichloride Hydrate and trans-Tetra-amminehydroxonitrosylruthenium Dichloride
Bottomley, F.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1974 (1974) 1600–1605; doi:

data_4031225
_publ_section_title
;
 Reinvestigation of the Crystal and Molecular Structures of
 Pentaamminenitrosylruthenium Trichloride Hydrate and
 trans-Tetra-amminehydroxonitrosylruthenium Dichloride
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1600
_journal_page_last               1605
_journal_volume                  1974
_journal_year                    1974
_chemical_formula_sum            'Cl3 H17 N6 O2 Ru'
_chemical_name_systematic        '(Ru (N H3)5 (N O)) Cl3 (H2 O)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.864
_cell_length_b                   6.878
_cell_length_c                   14.192
_cell_volume                     1158.076
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Bottomley_JCDTBI_1974_1659.cif
_cod_data_source_block           H17Cl3N6O2Ru1
_cod_original_sg_symbol_Hall     'P 2c -2n (-x,z,y)'
_cod_original_formula_sum        'H17 Cl3 N6 O2 Ru1'
_cod_database_code               4031225
Reinvestigation of the crystal and molecular structures of pentaamminenitrosylruthenium trichloride hydrate and trans-tetra-amminehydroxonitrosylruthenium dichloride
Bottomley, F.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1974 (1974) 1600–1605; doi:

data_4031226
_publ_section_title
;
 Reinvestigation of the crystal and molecular structures of
 pentaamminenitrosylruthenium trichloride hydrate and
 trans-tetra-amminehydroxonitrosylruthenium dichloride
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1600
_journal_page_last               1605
_journal_volume                  1974
_journal_year                    1974
_chemical_formula_sum            'Cl2 H13 N5 O2 Ru'
_chemical_name_systematic        'Ru O H (N H3)4 N O Cl2'
_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                 109.09
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.422
_cell_length_b                   7.365
_cell_length_c                   11.157
_cell_volume                     886.945
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Bottomley_JCDTBI_1974_1660.cif
_cod_data_source_block           H13Cl2N5O2Ru1
_cod_original_cell_volume        886.9454
_cod_original_formula_sum        'H13 Cl2 N5 O2 Ru1'
_cod_database_code               4031226
Diagramme d'equilibre du systeme Tl F - Be F2. Structure des Composes M3 Be F5
Boucherle, G.; Aleonard, S.; Materials Research Bulletin 6 (1971) 525–536; doi:

data_1527173
_publ_section_title
;
 Diagramme d'equilibre du systeme Tl F - Be F2. Structure des Composes M3
 Be F5
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              525
_journal_page_last               536
_journal_volume                  6
_journal_year                    1971
_chemical_formula_sum            'Be F5 K3'
_chemical_name_systematic        'K3 Be F5'
_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                   7.1785
_cell_length_b                   7.1785
_cell_length_c                   10.742
_cell_volume                     553.545
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Boucherle_MRBUAC_1971_921.cif
_cod_data_source_block           Be1F5K3
_cod_original_cell_volume        553.5446
_cod_original_sg_symbol_Hall     '-P 4a 2ac (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Be1 F5 K3'
_cod_database_code               1527173
Structure cristalline de Zn4 (P2 S6)3
Bouchetiere, M.; Toffoli, P.; Khodadad, P.; Rodier, N.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 384–387; doi:

data_2106259
_publ_section_title
;
 Structure cristalline de Zn4 (P2 S6)3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              384
_journal_page_last               387
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'P6 S18 Zn4'
_chemical_name_systematic        'Zn4 (P2 S6)3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-B 2'
_symmetry_space_group_name_H-M   'B 1 1 2/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                122.28
_cell_formula_units_Z            2
_cell_length_a                   21.41
_cell_length_b                   6.552
_cell_length_c                   10.68
_cell_volume                     1266.627
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bouchetiere_ACBCAR_1978_1080.cif
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