LMucko/crystallography-open-database huggingface dataset:
The geometry of the nonaaqualanthanoid(3+) complex in the solid bromates and ethyl sulphates
Albertsson, J.; Elding, L.I.; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1460–1469; doi:

data_2107390
_publ_section_title
;
 The geometry of the nonaaqualanthanoid(3+) complex in the solid bromates
 and ethyl sulphates
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1460
_journal_page_last               1469
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Br3 H18 O18 Yb'
_chemical_name_systematic        '(Yb (H2 O)9) (Br O3)3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.7056
_cell_length_b                   11.7056
_cell_length_c                   6.6474
_cell_volume                     788.805
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Albertsson_ACBCAR_1977_435.cif
_cod_data_source_block           H18Br3O18Yb1
_cod_original_cell_volume        788.8052
_cod_original_formula_sum        'H18 Br3 O18 Yb1'
_cod_database_code               2107390
Crystal Structure of the Transition-Metal Molybdates and Tungstates. II. Diamagnetic Sc2 (W O4)3
Abrahams, S.C.; Bernstein, J.L.; Journal of Chemical Physics 45 (1966) 2745–2752; doi:

data_1541935
_publ_section_title
;
 Crystal Structure of the Transition-Metal Molybdates and Tungstates. II.
 Diamagnetic Sc2 (W O4)3
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              2745
_journal_page_last               2752
_journal_volume                  45
_journal_year                    1966
_chemical_formula_sum            'O12 Sc2 W3'
_chemical_name_systematic        'Sc2 (W O4)3'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2a 2n'
_symmetry_space_group_name_H-M   'P n c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.596
_cell_length_b                   13.33
_cell_length_c                   9.512
_cell_volume                     1216.724
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1966_728.cif
_cod_data_source_block           O12Sc2W3
_cod_original_sg_symbol_Hall     '-P 2n 2ab (z,x,y)'
_cod_database_code               1541935
The crystal structure of the Pb0.5 Th0.5 V O4 polymorphs with scheelite-, zircon- and huttonite-type structure
Andreetti, G.D.; Calestani, G.; Montenero, A.; Zeitschrift fuer Kristallographie (149,1979-) 168 (1984) 41–51; doi:

data_8104403
_publ_section_title
;
 The crystal structure of the Pb0.5 Th0.5 V O4 polymorphs with scheelite-,
 zircon- and huttonite-type structure
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              41
_journal_page_last               51
_journal_volume                  168
_journal_year                    1984
_chemical_formula_sum            'O4 Pb0.5 Th0.5 V'
_chemical_name_systematic        'Pb0.5 Th0.5 (V O4)'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.175
_cell_length_b                   5.175
_cell_length_c                   11.943
_cell_volume                     319.841
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Andreetti_ZEKRDZ_1984_1940.cif
_cod_data_source_block           O4Pb0.5Th0.5V1
_cod_original_formula_sum        'O4 Pb0.5 Th0.5 V1'
_cod_database_code               8104403
Ferroelectric lithium niobate. 4. Single crystal neutron diffraction study at 24 C
Abrahams, S.C.; Hamilton, W.C.; Reddy, J.M.; Journal of Physics and Chemistry of Solids 27 (1966) 1013–1018; doi:

data_1541936
_publ_section_title
;
 Ferroelectric lithium niobate. 4. Single crystal neutron diffraction
 study at 24 C
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1013
_journal_page_last               1018
_journal_volume                  27
_journal_year                    1966
_chemical_formula_sum            'Li Nb O3'
_chemical_name_systematic        'Li (Nb O3)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.14829
_cell_length_b                   5.14829
_cell_length_c                   13.8631
_cell_volume                     318.212
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Abrahams_JPCSAW_1966_615.cif
_cod_data_source_block           Li1Nb1O3
_cod_original_cell_volume        318.2123
_cod_original_formula_sum        'Li1 Nb1 O3'
_cod_database_code               1541936
Synthesis and Crystal Structures of two new reduced Iodides of Erbium with isolated monomeric and dimeric Clusters, Cs Er6C I12 and Cs ER10(C2)I18
Artelt, H.M.; Meyer, G.; Journal of the Chemical Society. Chemical Communications (1972-) 1992 (1992) 1320–1321; doi:

data_7118390
_publ_section_title
;
 Synthesis and Crystal Structures of two new reduced Iodides of Erbium
 with isolated monomeric and dimeric Clusters, Cs Er6C I12 and Cs
 ER10(C2)I18
;
_journal_name_full
;
Journal of the Chemical Society. Chemical Communications (1972-)
;
_journal_page_first              1320
_journal_page_last               1321
_journal_volume                  1992
_journal_year                    1992
_chemical_formula_sum            'C Cs Er6 I12'
_chemical_name_systematic        'Cs Er6 I12 C'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   11.1202
_cell_length_b                   11.1202
_cell_length_c                   20.6376
_cell_volume                     2210.116
_citation_journal_id_ASTM        JCCCAT
_cod_data_source_file            Artelt_JCCCAT_1992_1537.cif
_cod_data_source_block           C1Cs1Er6I12
_cod_original_formula_sum        'C1 Cs1 Er6 I12'
_cod_database_code               7118390
Ferroelectric lithium niobate. 5. Polycrystal X-ray diffraction study between 24 and 1200 C
Abrahams, S.C.; Reddy, J.M.; Levinstein, H.J.; Journal of Physics and Chemistry of Solids 27 (1966) 1019–1026; doi:

data_1541937
_publ_section_title
;
 Ferroelectric lithium niobate. 5. Polycrystal X-ray diffraction study
 between 24 and 1200 C
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1019
_journal_page_last               1026
_journal_volume                  27
_journal_year                    1966
_chemical_formula_sum            'Li Nb O3'
_chemical_name_systematic        'Li (Nb O3)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.185
_cell_length_b                   5.185
_cell_length_c                   13.87
_cell_volume                     322.927
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Abrahams_JPCSAW_1966_616.cif
_cod_data_source_block           Li1Nb1O3
_cod_original_cell_volume        322.9272
_cod_original_formula_sum        'Li1 Nb1 O3'
_cod_database_code               1541937
Crystal Structure of Cs3 U O2 (N C S)5
Arutyunyan, E.G.; Porai-Koshits, M.A.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 7 (1966) 393–398; doi:

data_1541938
_publ_section_title
;
 Crystal Structure of Cs3 U O2 (N C S)5
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              393
_journal_page_last               398
_journal_volume                  7
_journal_year                    1966
_chemical_formula_sum            'C5 Cs3 N5 O2 S5 U'
_chemical_name_systematic        'Cs3 (U O2) (N C S)5'
_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                   13.629
_cell_length_b                   13.249
_cell_length_c                   11.556
_cell_volume                     2086.674
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Arutyunyan_ZSTKAI_1966_626.cif
_cod_data_source_block           C5Cs3N5O2S5U1
_cod_original_formula_sum        'C5 Cs3 N5 O2 S5 U1'
_cod_database_code               1541938
Crystal structure of tetrarubidium monostannidohexaantimonide
Asbrand, M.; Eisenmann, B.; Zeitschrift fuer Kristallographie (149,1979-) 198 (1992) 309–310; doi:

data_8104404
_publ_section_title
;
 Crystal structure of tetrarubidium monostannidohexaantimonide
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              309
_journal_page_last               310
_journal_volume                  198
_journal_year                    1992
_chemical_formula_sum            'Rb4 Sb6 Sn'
_chemical_name_systematic        'Rb4 Sn Sb6'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   14.92
_cell_length_b                   14.92
_cell_length_c                   14.426
_cell_volume                     2781.085
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Asbrand_ZEKRDZ_1992_1493.cif
_cod_data_source_block           Rb4Sb6Sn1
_cod_original_formula_sum        'Rb4 Sb6 Sn1'
_cod_database_code               8104404
The Crystal Structure of Nb3 O7 F
Andersson, S.; Acta Chemica Scandinavica (1-27,1973-42,1988) 18 (1964) 2339–2344; doi:

data_1541939
_publ_section_title
;
 The Crystal Structure of Nb3 O7 F
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              2339
_journal_page_last               2344
_journal_volume                  18
_journal_year                    1964
_chemical_formula_sum            'F Nb3 O7'
_chemical_name_systematic        'Nb3 O7 F'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.67
_cell_length_b                   3.833
_cell_length_c                   3.927
_cell_volume                     311.129
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Andersson_ACSAA4_1964_725.cif
_cod_data_source_block           F1Nb3O7
_cod_original_cell_volume        311.1288
_cod_original_formula_sum        'F1 Nb3 O7'
_cod_database_code               1541939
Determination of the crystal structure of Na2 Mn2 Si2 O7 by the superposition method
Astakhova, L.P.; Simonov, V.I.; Kristallografiya 14 (1969) 3–8; doi:

data_1541940
_publ_section_title
;
 Determination of the crystal structure of Na2 Mn2 Si2 O7 by the
 superposition method
;
_journal_name_full               Kristallografiya
_journal_page_first              3
_journal_page_last               8
_journal_volume                  14
_journal_year                    1969
_chemical_formula_sum            'Mn2 Na2 O7 Si2'
_chemical_name_systematic        'Na2 Mn2 (Si2 O7)'
_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                 90.17
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.757
_cell_length_b                   13.294
_cell_length_c                   5.744
_cell_volume                     668.688
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Astakhova_KRISAJ_1969_44.cif
_cod_data_source_block           Mn2Na2O7Si2
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1541940
Cs2(Pr6(C2))I12 the first quaternary reduced halide with isolated (M6(C2)) clusters
Artelt, H.M.; Meyer, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1–6; doi:

data_1541941
_publ_section_title
;
 Cs2(Pr6(C2))I12 the first quaternary reduced halide with isolated
 (M6(C2)) clusters
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1
_journal_page_last               6
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C2 Cs2 I12 Pr6'
_chemical_name_systematic        'Cs2 Pr6 I12 C2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.005
_cell_angle_beta                 84.676
_cell_angle_gamma                89.373
_cell_formula_units_Z            1
_cell_length_a                   9.4817
_cell_length_b                   9.5361
_cell_length_c                   10.0521
_cell_volume                     855.517
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Artelt_ZAACAB_1993_1536.cif
_cod_data_source_block           C2Cs2I12Pr6
_cod_original_cell_volume        855.5165
_cod_database_code               1541941
Crystal structure determination of disodium acetylide, Na2 C2, by neutron diffraction
Atoji, M.; Journal of Chemical Physics 60 (1974) 3324–3327; doi:

data_1541942
_publ_section_title
;
 Crystal structure determination of disodium acetylide, Na2 C2, by neutron
 diffraction
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3324
_journal_page_last               3327
_journal_volume                  60
_journal_year                    1974
_chemical_formula_sum            'C2 Na2'
_chemical_name_systematic        'Na2 C2'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  'I 4bw 2aw -1bw'
_symmetry_space_group_name_H-M   'I 41/a c d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.743
_cell_length_b                   6.743
_cell_length_c                   12.674
_cell_volume                     576.262
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Atoji_JCPSA6_1974_291.cif
_cod_data_source_block           C2Na2
_cod_original_sg_symbol_Hall     '-I 4bd 2c (x+1/2,y+1/4,z-3/8)'
_cod_database_code               1541942
Crystal structure of tricesium nonaiodo dierbate(III)
Artelt, H.M.; Meyer, G.; Zeitschrift fuer Kristallographie (149,1979-) 203 (1993) 284–285; doi:

data_8104405
_publ_section_title
;
 Crystal structure of tricesium nonaiodo dierbate(III)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              284
_journal_page_last               285
_journal_volume                  203
_journal_year                    1993
_chemical_formula_sum            'Cs3 Er2 I9'
_chemical_name_systematic        'Cs3 (Er2 I9)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.3941
_cell_length_b                   8.3941
_cell_length_c                   21.2036
_cell_volume                     1293.864
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Artelt_ZEKRDZ_1993_1511.cif
_cod_data_source_block           Cs3Er2I9
_cod_database_code               8104405
Crystal Structure of Potassium Ozonide
Azaroff, L.V.; Corvin, I.; Proceedings of the National Academy of Sciences, U.S.A. 49 (1963) 1–5; doi:

data_1541943
_publ_section_title
;
 Crystal Structure of Potassium Ozonide
;
_journal_name_full
'Proceedings of the National Academy of Sciences, U.S.A.'
_journal_page_first              1
_journal_page_last               5
_journal_volume                  49
_journal_year                    1963
_chemical_formula_sum            'K O3'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.597
_cell_length_b                   8.597
_cell_length_c                   7.08
_cell_volume                     523.272
_citation_journal_id_ASTM        PNASA6
_cod_data_source_file            Azaroff_PNASA6_1963_654.cif
_cod_data_source_block           K1O3
_cod_original_cell_volume        523.2715
_cod_original_formula_sum        'K1 O3'
_cod_database_code               1541943
Crystal structure of tantalum iodide (6/14)
Artelt, H.M.; Meyer, G.; Zeitschrift fuer Kristallographie (149,1979-) 206 (1993) 306–307; doi:

data_8104406
_publ_section_title
;
 Crystal structure of tantalum iodide (6/14)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              306
_journal_page_last               307
_journal_volume                  206
_journal_year                    1993
_chemical_formula_sum            'I14 Ta6'
_chemical_name_systematic        'Ta6 I14'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.0315
_cell_length_b                   14.487
_cell_length_c                   12.5184
_cell_volume                     2726.024
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Artelt_ZEKRDZ_1993_1550.cif
_cod_data_source_block           I14Ta6
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               8104406
Rubidium Pentaborate Tetrahydrate, Rb (B5 O6 (O H)4) (H2 O)2
Behm, H.; Acta Crystallographica C (39,1983-) 40 (1984) 217–220; doi:

data_2020381
_publ_section_title
;
 Rubidium Pentaborate Tetrahydrate, Rb (B5 O6 (O H)4) (H2 O)2
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              217
_journal_page_last               220
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'B5 H8 O12 Rb'
_chemical_name_systematic        'Rb B5 O6 (O H)4 (H2 O)2'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.302
_cell_length_b                   10.962
_cell_length_c                   9.335
_cell_volume                     1156.537
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Behm_ACSCEE_1984_1330.cif
_cod_data_source_block           H8B5O12Rb1
_cod_original_sg_symbol_H-M      'A b a 2'
_cod_original_formula_sum        'H8 B5 O12 Rb1'
_cod_database_code               2020381
Crystal structure of erbium hypophosphite
Aslanov, L.A.; Ionov, V.M.; Porai-Koshits, M.A.; Gilyarov, O.N.; Lebedev, V.G.; Kulikovskii, B.N.; Novoderezhkina, T.L.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 11 (1975) 117–119; doi:

data_1541944
_publ_section_title
;
 Crystal structure of erbium hypophosphite
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              117
_journal_page_last               119
_journal_volume                  11
_journal_year                    1975
_chemical_formula_sum            'Er H6 O6 P3'
_chemical_name_systematic        'Er (H2 P O2)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                111.3
_cell_formula_units_Z            4
_cell_length_a                   14.4
_cell_length_b                   12.1
_cell_length_c                   5.64
_cell_volume                     915.586
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Aslanov_IVNMAW_1975_330.cif
_cod_data_source_block           H6Er1O6P3
_cod_original_cell_volume        915.5856
_cod_original_sg_symbol_Hall     '-C 2y (-x,z,y)'
_cod_original_formula_sum        'H6 Er1 O6 P3'
_cod_database_code               1541944
Preparation and crystal structure of copper(I) carbonyl hydrogensulfate, obtained by carbonylation in sulphuric acid
Belli Dell'Amico, D.; Marchetti, F.; Labella, L.; Calderazzo, F.; Lorenzini, F.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1868–1872; doi:

data_1541945
_publ_section_title
;
 Preparation and crystal structure of copper(I) carbonyl hydrogensulfate,
 obtained by carbonylation in sulphuric acid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1868
_journal_page_last               1872
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'C H Cu O5 S'
_chemical_name_systematic        '(Cu (C O)) (H S O4)'
_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                 95.193
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.59
_cell_length_b                   4.898
_cell_length_c                   12.0274
_cell_volume                     503.962
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            BelliDellAmico_ZAACAB_2002_392.cif
_cod_data_source_block           C1H1Cu1O5S1
_cod_original_cell_volume        503.9616
_cod_original_formula_sum        'C1 H1 Cu1 O5 S1'
_cod_database_code               1541945