LMucko/crystallography-open-database huggingface dataset:
Prediction of the structures in the family of La (I O3)3 iodates based on topology and symmetry analysis within the OD theory
Belokoneva, E.L.; Kristallografiya 53 (2008) 431–436; doi:

data_1528348
_publ_section_title
;
 Prediction of the structures in the family of La (I O3)3 iodates based on
 topology and symmetry analysis within the OD theory
;
_journal_name_full               Kristallografiya
_journal_page_first              431
_journal_page_last               436
_journal_volume                  53
_journal_year                    2008
_chemical_formula_sum            'I3 La O9'
_chemical_name_systematic        'La (I O3)3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'B -2b'
_symmetry_space_group_name_H-M   'B 1 1 b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                101.86
_cell_formula_units_Z            12
_cell_length_a                   12.549
_cell_length_b                   27.84
_cell_length_c                   7.091
_cell_volume                     2424.457
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Belokoneva_KRISAJ_2008_1503.cif
_cod_data_source_block           I3La1O9
_cod_original_sg_symbol_Hall     'C -2yc (-x,z,y)'
_cod_original_formula_sum        'I3 La1 O9'
_cod_database_code               1528348
Synthetic Na,Sr-carbonatoborate with a new type of pentaborate layer: The OD nature of the structure and its correlation with volkovskite, veatchites, and hilgardites
Belokoneva, E.L.; Dimitrova, O.V.; Mochenova, N.N.; Kristallografiya 54 (2009) 13–19; doi:

data_1528349
_publ_section_title
;
 Synthetic Na,Sr-carbonatoborate with a new type of pentaborate layer: The
 OD nature of the structure and its correlation with volkovskite,
 veatchites, and hilgardites
;
_journal_name_full               Kristallografiya
_journal_page_first              13
_journal_page_last               19
_journal_volume                  54
_journal_year                    2009
_chemical_formula_sum            'C0.8 H2 B5 Na2.4 O12.4 Sr1.1'
_chemical_name_systematic
'Sr (Na0.4 Sr0.1) Na2 (B5 O8 (O H)2) (C O3)0.8'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-B 2b'
_symmetry_space_group_name_H-M   'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                94.66
_cell_formula_units_Z            8
_cell_length_a                   11.322
_cell_length_b                   27.182
_cell_length_c                   6.565
_cell_volume                     2013.730
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Belokoneva_KRISAJ_2009_1669.cif
_cod_data_source_block           C0.8H2B5Na2.4O12.4Sr1.1
_cod_original_cell_volume        2013.73
_cod_original_sg_symbol_Hall     '-C 2yc (-x,z,y)'
_cod_database_code               1528349
The Crystal Structure of Potassium Hydroxylamine-N-sulfonate
Belt, R.F.; Baenziger, N.C.; Journal of the American Chemical Society 79 (1957) 316–318; doi:

data_4123994
_publ_section_title
;
 The Crystal Structure of Potassium Hydroxylamine-N-sulfonate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              316
_journal_page_last               318
_journal_volume                  79
_journal_year                    1957
_chemical_formula_sum            'H2 K N O4 S'
_chemical_name_systematic        'K S O3 N H O H'
_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                   7.06
_cell_length_b                   12.02
_cell_length_c                   5.58
_cell_volume                     473.525
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Belt_JACSAT_1957_325.cif
_cod_data_source_block           H2K1N1O4S1
_cod_original_cell_volume        473.5255
_cod_original_formula_sum        'H2 K1 N1 O4 S1'
_cod_database_code               4123994
Nuclear and magnetic structures and magnetic properties of the layered cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated analogue, Co5 (O D)6 (S O4)2 (D2 O)4
Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Andre, G.; Takagi, S.; Mhiri, T.; Richard-Plouet, M.; Journal of the American Chemical Society 128 (2006) 7972–7981; doi:

data_4123995
_publ_section_title
;
 Nuclear and magnetic structures and magnetic properties of the layered
 cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated
 analogue, Co5 (O D)6 (S O4)2 (D2 O)4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7972
_journal_page_last               7981
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'Co5 H14 O18 S2'
_chemical_name_systematic        'Co5 (O H)6 (S O4)2 (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                 91.709
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4698
_cell_length_b                   6.3435
_cell_length_c                   20.5471
_cell_volume                     712.620
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            BenSalah_JACSAT_2006_989.cif
_cod_data_source_block           H14Co5O18S2
_cod_original_cell_volume        712.6195
_cod_original_formula_sum        'H14 Co5 O18 S2'
_cod_database_code               4123995
Nuclear and magnetic structures and magnetic properties of the layered cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated analogue, Co5 (O D)6 (S O4)2 (D2 O)4
Ben Salah, M.; Kurmoo, M.; Vilminot, S.; Richard-Plouet, M.; Andre, G.; Takagi, S.; Mhiri, T.; Journal of the American Chemical Society 128 (2006) 7972–7981; doi:

data_4123996
_publ_section_title
;
 Nuclear and magnetic structures and magnetic properties of the layered
 cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated
 analogue, Co5 (O D)6 (S O4)2 (D2 O)4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7972
_journal_page_last               7981
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'Co5 D12.88 H1.12 O18 S2'
_chemical_name_systematic
'Co5 (O D0.92 H0.08)6 (S O4)2 ((D.92 H0.08)2 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                 91.709
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4698
_cell_length_b                   6.3435
_cell_length_c                   20.5471
_cell_volume                     712.620
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            BenSalah_JACSAT_2006_990.cif
_cod_data_source_block           H1.12D12.88Co5O18S2
_cod_original_cell_volume        712.6195
_cod_original_formula_sum        'H1.12 D12.88 Co5 O18 S2'
_cod_database_code               4123996
X-ray powder profile refinement of the structure of pseudotetragonal Sc3 As2
Berger, R.; Acta Chemica Scandinavica, Series A: (28,1974-) 34 (1980) 463–464; doi:

data_1528350
_publ_section_title
;
 X-ray powder profile refinement of the structure of pseudotetragonal Sc3
 As2
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              463
_journal_page_last               464
_journal_volume                  34
_journal_year                    1980
_chemical_formula_sum            'As2 Sc3'
_chemical_name_systematic        'Sc3 As2'
_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                   10.3754
_cell_length_b                   3.8063
_cell_length_c                   10.3754
_cell_volume                     409.744
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Berger_ACAPCT_1980_44.cif
_cod_data_source_block           As2Sc3
_cod_database_code               1528350
Hydrogen bond studies. CXVI. A neutron diffraction study of the structure of sodium perchlorate monohydrate, Na Cl O4 * H2 O, at 298 K
Berglund, B.; Tellgren, R.; Thomas, J.O.; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 2444–2449; doi:

data_2106483
_publ_section_title
;
 Hydrogen bond studies. CXVI. A neutron diffraction study of the structure
 of sodium perchlorate monohydrate, Na Cl O4 * H2 O, at 298 K
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2444
_journal_page_last               2449
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cl H2 Na O5'
_chemical_name_systematic        'Na (Cl O4) (H2 O)'
_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                 110.666
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.5422
_cell_length_b                   5.5399
_cell_length_c                   11.0455
_cell_volume                     889.846
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Berglund_ACBCAR_1976_1289.cif
_cod_data_source_block           H2Cl1Na1O5
_cod_original_cell_volume        889.8461
_cod_original_formula_sum        'H2 Cl1 Na1 O5'
_cod_database_code               2106483
The crystal structure of the intermetallic compound Mg6 Si7 Cu16
Bergman, G.; Waugh, L.H.; Acta Crystallographica (1,1948-23,1967) 9 (1956) 214–217; doi:

data_2310527
_publ_section_title
;
 The crystal structure of the intermetallic compound Mg6 Si7 Cu16
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              214
_journal_page_last               217
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'Cu16 Mg6 Si7'
_chemical_name_systematic        'Mg6 Si7 Cu16'
_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                   11.65
_cell_length_b                   11.65
_cell_length_c                   11.65
_cell_volume                     1581.167
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bergman_ACCRA9_1956_187.cif
_cod_data_source_block           Cu16Mg6Si7
_cod_database_code               2310527
Synthesis, molecular structure and properties of the [H(6-n) Ni30 C4 (C O)34 (Cd Cl)2](n-) (n=3-6) bimetallic carbide carbonyl cluster: a model for the growth of noncompact interstitial metal carbides
Bernardi, A.; Zanello, P.; Femoni, C.; Iapalucci, M.C.; Longoni, G.; Ranuzzi, F.; Zacchini, S.; Fedi, S.; Chemistry - A European Journal 14 (2008) 1924–1934; doi:

data_1528351
_publ_section_title
;
 Synthesis, molecular structure and properties of the [H(6-n) Ni30 C4 (C
 O)34 (Cd Cl)2](n-) (n=3-6) bimetallic carbide carbonyl cluster: a model
 for the growth of noncompact interstitial metal carbides
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              1924
_journal_page_last               1934
_journal_volume                  14
_journal_year                    2008
_chemical_formula_sum            'C74 H90 Cd2 Cl2 N12 Ni30 O34'
_chemical_name_systematic
;
(N (C H3)4)6 (Ni30 C4 (C O)34 (Cd Cl)2) (C H3 C N)6
;
_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                 94.374
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.819
_cell_length_b                   25.099
_cell_length_c                   15.347
_cell_volume                     5691.570
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Bernardi_CEUJED_2008_1355.cif
_cod_data_source_block           C74H90Cd2Cl2N12Ni30O34
_cod_original_cell_volume        5691.57
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1528351
Crystal data on tin(II) phosphate chloride, Sn2 P O4 Cl
Berndt, A.F.; Sylvester, J.M.; Journal of Applied Crystallography 5 (1972) 248–249; doi:

data_2300524
_publ_section_title
;
 Crystal data on tin(II) phosphate chloride, Sn2 P O4 Cl
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              248
_journal_page_last               249
_journal_volume                  5
_journal_year                    1972
_chemical_formula_sum            'Cl O4 P Sn2'
_chemical_name_systematic        'Sn2 P O4 Cl'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.52
_cell_length_b                   8.673
_cell_length_c                   4.74
_cell_volume                     555.807
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Berndt_JACGAR_1972_125.cif
_cod_data_source_block           Cl1O4P1Sn2
_cod_original_cell_volume        555.8075
_cod_original_formula_sum        'Cl1 O4 P1 Sn2'
_cod_database_code               2300524
closo-[B21 H18](-): A face-fused diicosahedral borate ion
Bernhardt, E.; Brauer, D.J.; Finze, M.; Willner, H.; Angewandte Chemie (Edition international) 46 (2007) 2927–2930; doi:

data_1528352
_publ_section_title
;
 closo-[B21 H18](-): A face-fused diicosahedral borate ion
;
_journal_name_full               'Angewandte Chemie (Edition international)'
_journal_page_first              2927
_journal_page_last               2930
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'B21 H18 K'
_chemical_name_systematic        'K B21 H18'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.81
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.486
_cell_length_b                   7.106
_cell_length_c                   16.9436
_cell_volume                     1500.007
_citation_journal_id_ASTM        ACIEAY
_cod_data_source_file            Bernhardt_ACIEAY_2007_1291.cif
_cod_data_source_block           H18B21K1
_cod_original_formula_sum        'H18 B21 K1'
_cod_database_code               1528352
Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
Bernotat-Wulf, H.; Hoffmann, W.; Zeitschrift fuer Kristallographie (149,1979-) 158 (1982) 101–117; doi:

data_8103686
_publ_section_title
;
 Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              101
_journal_page_last               117
_journal_volume                  158
_journal_year                    1982
_chemical_formula_sum            'Nb2 O6.5 Pb1.5'
_chemical_name_systematic        'Pb1.5 Nb2 O6.5'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.567
_cell_length_b                   10.567
_cell_length_c                   10.567
_cell_volume                     1179.927
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bernotat-Wulf_ZEKRDZ_1982_468.cif
_cod_data_source_block           Nb2O6.5Pb1.5
_cod_database_code               8103686
Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
Bernotat-Wulf, H.; Hoffmann, W.; Zeitschrift fuer Kristallographie (149,1979-) 158 (1982) 101–117; doi:

data_8103687
_publ_section_title
;
 Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              101
_journal_page_last               117
_journal_volume                  158
_journal_year                    1982
_chemical_formula_sum            'Nb17 O59.5 Pb17'
_chemical_name_systematic        'Pb17 Nb17 O59.5'
_space_group_IT_number           156
_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                   7.472
_cell_length_b                   7.472
_cell_length_c                   28.351
_cell_volume                     1370.796
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bernotat-Wulf_ZEKRDZ_1982_469.cif
_cod_data_source_block           Nb17O59.5Pb17
_cod_database_code               8103687
Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
Bernotat-Wulf, H.; Hoffmann, W.; Zeitschrift fuer Kristallographie (149,1979-) 158 (1982) 101–117; doi:

data_8103688
_publ_section_title
;
 Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              101
_journal_page_last               117
_journal_volume                  158
_journal_year                    1982
_chemical_formula_sum            'Nb1.95 O7.31004 Pb2.25'
_chemical_name_systematic        'Pb2.31 Nb2 O7.31'
_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            20
_cell_length_a                   7.472
_cell_length_b                   7.472
_cell_length_c                   66.75
_cell_volume                     3227.421
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bernotat-Wulf_ZEKRDZ_1982_470.cif
_cod_data_source_block           Nb1.95O7.31004Pb2.25
_cod_database_code               8103688
Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
Bernotat-Wulf, H.; Hoffmann, W.; Zeitschrift fuer Kristallographie (149,1979-) 158 (1982) 101–117; doi:

data_8103689
_publ_section_title
;
 Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              101
_journal_page_last               117
_journal_volume                  158
_journal_year                    1982
_chemical_formula_sum            'Nb2 O7.44 Pb2.44'
_chemical_name_systematic        'Pb2.44 Nb2 O7.44'
_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            27
_cell_length_a                   7.46
_cell_length_b                   7.46
_cell_length_c                   96.26
_cell_volume                     4639.318
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bernotat-Wulf_ZEKRDZ_1982_471.cif
_cod_data_source_block           Nb2O7.44Pb2.44
_cod_database_code               8103689
Structure de La2 Fe1.76 S5
Besrest, F.; Collin, G.; Journal of Solid State Chemistry 24 (1978) 301–309; doi:

data_1528353
_publ_section_title
;
 Structure de La2 Fe1.76 S5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              301
_journal_page_last               309
_journal_volume                  24
_journal_year                    1978
_chemical_formula_sum            'Fe1.76 La2 S5'
_chemical_name_systematic        'La2 Fe1.76 S5'
_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                   4.001
_cell_length_b                   32.936
_cell_length_c                   11.291
_cell_volume                     1487.893
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Besrest_JSSCBI_1978_151.cif
_cod_data_source_block           Fe1.76La2S5
_cod_database_code               1528353
Crystal structure of potassium fluoride tetrahydrate
Beurskens, G.; Jeffrey, G.A.; Journal of Chemical Physics 41 (1964) 917–923; doi:

data_1528354
_publ_section_title
;
 Crystal structure of potassium fluoride tetrahydrate
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              917
_journal_page_last               923
_journal_volume                  41
_journal_year                    1964
_chemical_formula_sum            'F H8 K O4'
_chemical_name_systematic        'K F (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                 90.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8
_cell_length_b                   13.29
_cell_length_c                   6.64
_cell_volume                     600.025
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Beurskens_JCPSA6_1964_1775.cif
_cod_data_source_block           H8F1K1O4
_cod_original_cell_volume        600.0253
_cod_original_formula_sum        'H8 F1 K1 O4'
_cod_database_code               1528354
The crystal and molecular structure of sulfatobis(thiocarbonohydrazide- N,S) copper(II) tetrahydrate
Bigoli, F.; Pellinghelli, M.A.; Tiripicchio Camellini, M.; Tiripicchio, A.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 55–59; doi:

data_2106484
_publ_section_title
;
 The crystal and molecular structure of sulfatobis(thiocarbonohydrazide-
 N,S) copper(II) tetrahydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              55
_journal_page_last               59
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'C2 H20 Cu N8 O8 S3'
_chemical_name_systematic        '(Cu (S C (N H N H2)2)2 (S O4)) (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                 122.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.43
_cell_length_b                   8.34
_cell_length_c                   17.07
_cell_volume                     1607.118
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bigoli_ACBCAR_1975_1781.cif
_cod_data_source_block           C2H20Cu1N8O8S3
_cod_original_formula_sum        'C2 H20 Cu1 N8 O8 S3'
_cod_database_code               2106484