LMucko/crystallography-open-database huggingface dataset:
Structure of crystals of K4 (Th (S O4)4 (H2 O)2)
Arutyunyan, E.G.; Porai-Koshits, M.A.; Molodkin, A.K.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 7 (1966) 733–737; doi:

data_1541658
_publ_section_title
;
 Structure of crystals of K4 (Th (S O4)4 (H2 O)2)
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              733
_journal_page_last               737
_journal_volume                  7
_journal_year                    1966
_chemical_formula_sum            'H4 K4 O18 S4 Th'
_chemical_name_systematic        'K4 Th (S O4)4 (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                95.15
_cell_angle_beta                 95.22
_cell_angle_gamma                91
_cell_formula_units_Z            4
_cell_length_a                   10.096
_cell_length_b                   16.752
_cell_length_c                   9.762
_cell_volume                     1636.998
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Arutyunyan_ZSTKAI_1966_708.cif
_cod_data_source_block           H4K4O18S4Th1
_cod_original_sg_symbol_H-M      'P -1 (a+b,a-b,-c)'
_cod_original_formula_sum        'H4 K4 O18 S4 Th1'
_cod_database_code               1541658
New Series of Superstructures Based on Clinopyroxene. I. The Structure of the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x = 100, 112 or 124
Takeuchi, Y.; Kudoh, Y.; Ito, J.; Acta Crystallographica B (39,1983-) 40 (1984) 115–125; doi:

data_2107346
_publ_section_title
;
 New Series of Superstructures Based on Clinopyroxene. I. The Structure of
 the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x
 = 100, 112 or 124
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              115
_journal_page_last               125
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Li1.33 Mg28.4 O100 Sc4.62 Si32'
_chemical_name_systematic        '(Mg28.40 Sc4.62) Li1.33 Si32 O100'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.2
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.429
_cell_length_b                   8.741
_cell_length_c                   21.808
_cell_volume                     1796.997
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Takeuchi_ASBSDK_1984_1336.cif
_cod_data_source_block           Li1.33Mg28.4O100Sc4.62Si32
_cod_original_sg_symbol_Hall     '-P 2yc (z,y,-x)'
_cod_database_code               2107346
The structure of the inclusion complex of sodium nitrate in zeolite A
Barrer, R.M.; Villiger, H.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 142 (1975) 82–98; doi:

data_8104352
_publ_section_title
;
 The structure of the inclusion complex of sodium nitrate in zeolite A
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              82
_journal_page_last               98
_journal_volume                  142
_journal_year                    1975
_chemical_formula_sum            'Al12 H30.2 N9.4 Na22.1 O91.3 Si12'
_chemical_name_systematic        'Na22.1 (Al12 Si12 O48) (N O3)9.4 (H2 O)15.1'
_space_group_IT_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                   12.39
_cell_length_b                   12.39
_cell_length_c                   12.39
_cell_volume                     1902.015
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Barrer_ZEKGAX_1975_254.cif
_cod_data_source_block           H30.2Al12N9.4Na22.1O91.3Si12
_cod_original_formula_sum        'H30.2 Al12 N9.4 Na22.1 O91.3 Si12'
_cod_database_code               8104352
Synthesis, molecular structure and isomerisation in solution of (Me3 Sb S)2 Me2 Sn Cl2. Concomitant hypercoordination of tin and antimony
Beckmann, J.; Foitzik, R.C.; Dakternieks, D.; Duthie, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1508–1510; doi:

data_1541659
_publ_section_title
;
 Synthesis, molecular structure and isomerisation in solution of (Me3 Sb
 S)2 Me2 Sn Cl2. Concomitant hypercoordination of tin and antimony
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1508
_journal_page_last               1510
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'C8 H24 Cl2 S2 Sb2 Sn'
_chemical_name_systematic        '((C H3)3 Sb S)2 ((C H3)2 Sn Cl2)'
_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                 98.785
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.2887
_cell_length_b                   10.0768
_cell_length_c                   10.2982
_cell_volume                     952.607
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beckmann_ZAACAB_2003_447.cif
_cod_data_source_block           C8H24Cl2S2Sb2Sn1
_cod_original_cell_volume        952.6071
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C8 H24 Cl2 S2 Sb2 Sn1'
_cod_database_code               1541659
Structural studies of boracites: IV. Thermal motion in cubic Ni3 B7 O13 I at 77
Thornley, F.R.; Kennedy, N.S.J.; Nelmes, R.J.; Journal of Physics C 9 (1976) 681–692; doi:

data_1541660
_publ_section_title
;
 Structural studies of boracites: IV. Thermal motion in cubic Ni3 B7 O13 I
 at 77
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              681
_journal_page_last               692
_journal_volume                  9
_journal_year                    1976
_chemical_formula_sum            'B7 I Ni3 O13'
_chemical_name_systematic        'Ni3 (B7 O13 I)'
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.016
_cell_length_b                   12.016
_cell_length_c                   12.016
_cell_volume                     1734.921
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Thornley_JPSOAW_1976_144.cif
_cod_data_source_block           B7I1Ni3O13
_cod_original_formula_sum        'B7 I1 Ni3 O13'
_cod_database_code               1541660
Structure determination on a twinned crystal of cesium pentaborate tetrahydrate, Cs (B5 O6 (O H)4) (H2 O)2
Behm, H.; Acta Crystallographica C (39,1983-) 40 (1984) 1114–1116; doi:

data_2020374
_publ_section_title
;
 Structure determination on a twinned crystal of cesium pentaborate
 tetrahydrate, Cs (B5 O6 (O H)4) (H2 O)2
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1114
_journal_page_last               1116
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'B5 Cs H8 O12'
_chemical_name_systematic        'Cs (B5 O6 (O H)4) (H2 O)2'
_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                 94.61
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.584
_cell_length_b                   7.174
_cell_length_c                   13.959
_cell_volume                     1156.290
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Behm_ACSCEE_1984_1338.cif
_cod_data_source_block           H8B5Cs1O12
_cod_original_cell_volume        1156.29
_cod_original_formula_sum        'H8 B5 Cs1 O12'
_cod_database_code               2020374
The structure determination of the 96R polytype of Si C by a direct method
Tokonami, M.; Mineralogical Journal (Japan) 4 (1966) 401–423; doi:

data_1541661
_publ_section_title
;
 The structure determination of the 96R polytype of Si C by a direct
 method
;
_journal_name_full               'Mineralogical Journal (Japan)'
_journal_page_first              401
_journal_page_last               423
_journal_volume                  4
_journal_year                    1966
_chemical_formula_sum            'C Si'
_chemical_name_systematic        'Si C'
_space_group_IT_number           160
_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            96
_cell_length_a                   3.08
_cell_length_b                   3.08
_cell_length_c                   241.9
_cell_volume                     1987.321
_citation_journal_id_ASTM        MJTOAS
_cod_data_source_file            Tokonami_MJTOAS_1966_628.cif
_cod_data_source_block           C1Si1
_cod_original_cell_volume        1987.32
_cod_original_formula_sum        'C1 Si1'
_cod_database_code               1541661
Structure of Monoxides of some Transition Elements at Low Temperatures
Tombs, N.C.; Rooksby, H.P.; Nature (London) 165 (1950) 442–443; doi:

data_1541662
_publ_section_title
;
 Structure of Monoxides of some Transition Elements at Low Temperatures
;
_journal_name_full               'Nature (London)'
_journal_page_first              442
_journal_page_last               443
_journal_volume                  165
_journal_year                    1950
_chemical_formula_sum            'Co O'
_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                   4.258
_cell_length_b                   4.258
_cell_length_c                   4.258
_cell_volume                     77.200
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Tombs_NATUAS_1950_1114.cif
_cod_data_source_block           Co1O1
_cod_original_cell_volume        77.19994
_cod_original_formula_sum        'Co1 O1'
_cod_database_code               1541662
Silver complexes with cyanoguanidine: preparation and crystal structures of (Ag (cgn)2) F and (Ag (cgn)2) (B F4)
Bessler, K.E.; Niquet, E.; Torres de Sousa, A.; Deflon, V.M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1091–1095; doi:

data_1541663
_publ_section_title
;
 Silver complexes with cyanoguanidine: preparation and crystal structures
 of (Ag (cgn)2) F and (Ag (cgn)2) (B F4)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1091
_journal_page_last               1095
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'C4 H8 Ag B F4 N8'
_chemical_name_systematic        '(Ag (C (N H2)2 (N C N))2) (B F4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.026
_cell_angle_beta                 102.52
_cell_angle_gamma                95.937
_cell_formula_units_Z            2
_cell_length_a                   5.4979
_cell_length_b                   9.5817
_cell_length_c                   11.2104
_cell_volume                     573.261
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bessler_ZAACAB_2003_445.cif
_cod_data_source_block           C4H8Ag1B1F4N8
_cod_original_cell_volume        573.2606
_cod_original_formula_sum        'C4 H8 Ag1 B1 F4 N8'
_cod_database_code               1541663
Two isomers of C60 F48: an indented fullerene
Troyanov, S.I.; Troshin, P.A.; Boltalina, O.V.; Kemnitz, E.; Ioffe, I.N.; Sidorov, L.N.; Angew. Chem. Int. ed. 40 (2001) 2285–2287; doi:

data_1541664
_publ_section_title
;
 Two isomers of C60 F48: an indented fullerene
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              2285
_journal_page_last               2287
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C78 H24 F48'
_chemical_name_systematic        '(C60 F48) (C6 H3 (C H3)3)2'
_space_group_IT_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            8
_cell_length_a                   23.229
_cell_length_b                   23.229
_cell_length_c                   23.229
_cell_volume                     12534.053
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Troyanov_ACIEF5_2001_338.cif
_cod_data_source_block           C78H24F48
_cod_original_cell_volume        12534.05
_cod_database_code               1541664
Crystal structure of cesium catena-di-mue-phosphidoindate di-mue-phosphido-bis(phosphidoindate), Cs12 (In P2)2 (In2 P4)
Blase, W.; Cordier, G.; Somer, M.; Zeitschrift fuer Kristallographie (149,1979-) 195 (1991) 123–124; doi:

data_8104353
_publ_section_title
;
 Crystal structure of cesium catena-di-mue-phosphidoindate
 di-mue-phosphido-bis(phosphidoindate), Cs12 (In P2)2 (In2 P4)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              123
_journal_page_last               124
_journal_volume                  195
_journal_year                    1991
_chemical_formula_sum            'Cs12 In4 P8'
_chemical_name_systematic        'Cs12 (In P2)2 (In2 P4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.08
_cell_angle_beta                 81.55
_cell_angle_gamma                70.66
_cell_formula_units_Z            2
_cell_length_a                   9.662
_cell_length_b                   12.884
_cell_length_c                   15.84
_cell_volume                     1828.381
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Blase_ZEKRDZ_1991_1439.cif
_cod_data_source_block           Cs12In4P8
_cod_database_code               8104353
Open-framework and microporous vanadium silicates
Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.; Journal of the American Chemical Society 124 (2002) 7812–7820; doi:

data_4124788
_publ_section_title
;
 Open-framework and microporous vanadium silicates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7812
_journal_page_last               7820
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'H4.74 Na O13.37 Rb Si4 V'
_chemical_name_systematic        'Rb Na ((V O) (Si4 O10)) (H2 O)2.37'
_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            36
_cell_length_a                   18.2124
_cell_length_b                   18.2124
_cell_length_c                   45.752
_cell_volume                     13142.412
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Wang_JACSAT_2002_365.cif
_cod_data_source_block           H4.74Na1O13.37Rb1Si4V1
_cod_original_cell_volume        13142.41
_cod_original_formula_sum        'H4.74 Na1 O13.37 Rb1 Si4 V1'
_cod_database_code               4124788
Preparation and crystal structures of ditellurium octaselenium bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2 and tetratellurium hexaselenium- bis(hexafluoroarsenate), Te3.7 Se6.3 (As F6)2
Boldrini, P.; Ireland, P.R.; Brown, I.; Luk, W.C.; Gillespie, R.J.; Slim, D.R.; Vekris, J.E.; Inorganic Chemistry 15 (1976) 765–770; doi:

data_4344509
_publ_section_title
;
 Preparation and crystal structures of ditellurium octaselenium
 bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2 and
 tetratellurium hexaselenium- bis(hexafluoroarsenate), Te3.7 Se6.3 (As
 F6)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              765
_journal_page_last               770
_journal_volume                  15
_journal_year                    1976
_chemical_formula_sum            'As2 F12 O2 S Se8 Te2'
_chemical_name_systematic        '(Te2 Se8 (As F6)2) (S O2)'
_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                 91.52
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.337
_cell_length_b                   8.545
_cell_length_c                   36.03
_cell_volume                     2258.094
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Boldrini_INOCAJ_1976_1954.cif
_cod_data_source_block           As2F12O2S1Se8Te2
_cod_original_formula_sum        'As2 F12 O2 S1 Se8 Te2'
_cod_database_code               4344509
Cube-edges of uraninites as a criterion of age
Wasserstein, B.; Nature (London) 168 (1951) 380–381; doi:

data_1541665
_publ_section_title
;
 Cube-edges of uraninites as a criterion of age
;
_journal_name_full               'Nature (London)'
_journal_page_first              380
_journal_page_last               381
_journal_volume                  168
_journal_year                    1951
_chemical_formula_sum            'O2 U'
_chemical_name_systematic        'U O2'
_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                   5.465
_cell_length_b                   5.465
_cell_length_c                   5.465
_cell_volume                     163.219
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Wasserstein_NATUAS_1951_1142.cif
_cod_data_source_block           O2U1
_cod_original_cell_volume        163.2189
_cod_original_formula_sum        'O2 U1'
_cod_database_code               1541665
Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes
Bombicz, P.; Mutikainen, I.; Krunks, M.; Leskela, T.; Madarasz, J.; Niinisto, L.; Inorganica Chimica Acta 357 (2004) 513–525; doi:

data_1541666
_publ_section_title
;
 Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea
 complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              513
_journal_page_last               525
_journal_volume                  357
_journal_year                    2004
_chemical_formula_sum            'C3 H14 Cl Cu N6 O S3'
_chemical_name_systematic        '(Cu (C S (N H2)2)3) Cl (H2 O)'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.48
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.641
_cell_length_b                   8.179
_cell_length_c                   14.253
_cell_volume                     1342.217
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Bombicz_ICHAA3_2004_475.cif
_cod_data_source_block           C3H14Cl1Cu1N6O1S3
_cod_original_formula_sum        'C3 H14 Cl1 Cu1 N6 O1 S3'
_cod_database_code               1541666
Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes
Bombicz, P.; Madarasz, J.; Mutikainen, I.; Leskela, T.; Krunks, M.; Niinisto, L.; Inorganica Chimica Acta 357 (2004) 513–525; doi:

data_1541667
_publ_section_title
;
 Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea
 complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              513
_journal_page_last               525
_journal_volume                  357
_journal_year                    2004
_chemical_formula_sum            'C3 H12 Cl Cu N6 S3'
_chemical_name_systematic        '(Cu (C S (N H2)2)3) Cl'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.398
_cell_length_b                   13.398
_cell_length_c                   13.79
_cell_volume                     2475.393
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Bombicz_ICHAA3_2004_477.cif
_cod_data_source_block           C3H12Cl1Cu1N6S3
_cod_original_formula_sum        'C3 H12 Cl1 Cu1 N6 S3'
_cod_database_code               1541667
Sc O H (C H3 S O3)2, a basic methanesulfonate of scandium with chain structure
Wickleder, M.S.; Mueller, I.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 59 (2004) 33–36; doi:

data_7223707
_publ_section_title
;
 Sc O H (C H3 S O3)2, a basic methanesulfonate of scandium with chain
 structure
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              33
_journal_page_last               36
_journal_volume                  59
_journal_year                    2004
_chemical_formula_sum            'C2 H7 O7 S2 Sc'
_chemical_name_systematic        'Sc O H ((C H3) S O3)2'
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.4392
_cell_length_b                   14.977
_cell_length_c                   15.4008
_cell_volume                     1715.909
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Wickleder_ZNBSEN_2004_547.cif
_cod_data_source_block           C2H7O7S2Sc1
_cod_original_formula_sum        'C2 H7 O7 S2 Sc1'
_cod_database_code               7223707
Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes
Bombicz, P.; Mutikainen, I.; Krunks, M.; Niinisto, L.; Madarasz, J.; Leskela, T.; Inorganica Chimica Acta 357 (2004) 513–525; doi:

data_1541668
_publ_section_title
;
 Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea
 complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              513
_journal_page_last               525
_journal_volume                  357
_journal_year                    2004
_chemical_formula_sum            'C3 H12 Br Cu N6 S3'
_chemical_name_systematic        '(Cu (C S (N H2)2)3) Br'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.391
_cell_length_b                   13.391
_cell_length_c                   13.788
_cell_volume                     2472.449
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Bombicz_ICHAA3_2004_478.cif
_cod_data_source_block           C3H12Br1Cu1N6S3
_cod_original_formula_sum        'C3 H12 Br1 Cu1 N6 S3'
_cod_database_code               1541668