LMucko/crystallography-open-database huggingface dataset:
Structure of triphenyltin 2-(4-pyridylthio)acetate
Ng, S. W.; Kumar Das, V. G.; Acta Crystallographica Section C 48 (1992) 2025–2026; doi:10.1107/S0108270192002609

data_2000465
_publ_section_title
;
 Structure of triphenyltin 2-(4-pyridylthio)acetate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2025
_journal_page_last               2026
_journal_paper_doi               10.1107/S0108270192002609
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C25 H21 N O2 S Sn'
_chemical_formula_weight         518.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.820(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.525(2)
_cell_length_b                   15.386(2)
_cell_length_c                   19.751(2)
_cell_volume                     4594.0(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.222
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_F_000             2080
_cod_data_source_file            as0579.cif
_cod_data_source_block           as0579a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C25 H21 N1 O2 S1 Sn1'
_cod_database_code               2000465
Structure of sodium (7-amino-2,3-dihydro-5-oxo-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-6-yl)sulfamate trihydrate
Pecorari, P.; Rinaldi, M.; Antolini, L.; Acta Crystallographica Section C 48 (1992) 2027–2029; doi:10.1107/S0108270192002622

data_2000466
_publ_section_title
;Structure of sodium
 (7-amino-2,3-dihydro-5-oxo-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-6-yl)sulfamate
 trihydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2027
_journal_page_last               2029
_journal_paper_doi               10.1107/S0108270192002622
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C6 H7 N4 O4 S2,Na1,3(H2 O1)'
_chemical_formula_sum            'C6 H13 N4 Na O7 S2'
_chemical_formula_weight         340.3
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                89.920(10)
_cell_angle_beta                 81.46(2)
_cell_angle_gamma                80.660(10)
_cell_formula_units_Z            2
_cell_length_a                   7.0830(10)
_cell_length_b                   9.3590(10)
_cell_length_c                   9.809(2)
_cell_volume                     634.33(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.43
_exptl_crystal_density_diffrn    1.78
_exptl_crystal_F_000             352
_cod_data_source_file            ge0303.cif
_cod_data_source_block           ge0303a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Updating _geom_angle_atom_site_1 and _geom_angle_atom_site_3 data
 values to establish relationships between rows in different loops.

 Antanas Vaitkus,
 2018-06-14

 Marking atoms 'H1w3a', 'H2w3a' and 'H1w3b', 'H2w3a' as belonging
 to disorder sites '1' and '2' accordingly with the occupancy of
 0.5.

 Antanas Vaitkus,
 2017-01-18

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-18
;
_cod_original_cell_volume        634.0(10)
_cod_original_formula_sum        'C6 H13 N4 Na1 O7 S2'
_cod_database_code               2000466
Penta[bis(5-oxoprolinato)platinate(II) d'ammonium] monohydrate
Khodadad, P.; Rodier, N.; Acta Crystallographica Section C 48 (1992) 2029–2031; doi:10.1107/S0108270192003275

data_2000467
_publ_section_title
;
 Penta[bis(5-oxoprolinato)platinate(II) d'ammonium] monohydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2029
_journal_page_last               2031
_journal_paper_doi               10.1107/S0108270192003275
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '5(C10 H15 N3 O6),H2 O1'
_chemical_formula_sum            'C50 H77 N15 O31 Pt5'
_chemical_formula_weight         2359.7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.60(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.278(5)
_cell_length_b                   15.195(5)
_cell_length_c                   19.920(10)
_cell_volume                     3412(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    10.42
_exptl_crystal_density_diffrn    2.297
_exptl_crystal_density_meas      2.30(5)
_exptl_crystal_F_000             2240
_cod_data_source_file            du0338.cif
_cod_data_source_block           du0338a
_cod_original_cell_volume        3412(4)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000467
3-Methyl-2-thioxo-6-trifluoromethyl-2,3-dihydro-4(1<i>H</i>)-pyrimidinone
Tinant, B.; Feneau-Dupont, J.; Declercq, J.-P.; Evariste, F.; Viehe, H. G.; Acta Crystallographica Section C 48 (1992) 2032–2033; doi:10.1107/S0108270192002440

data_2000468
_publ_section_title
;
 3-Methyl-2-thioxo-6-trifluoromethyl-2,3-dihydro-4(1<i>H</i>)-pyrimidinone
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2032
_journal_page_last               2033
_journal_paper_doi               10.1107/S0108270192002440
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H5 F3 N2 O S'
_chemical_formula_weight         210.17
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_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                   17.426(11)
_cell_length_b                   6.945(10)
_cell_length_c                   6.816(2)
_cell_volume                     824.9(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.404
_exptl_crystal_density_diffrn    1.69
_exptl_crystal_F_000             424
_cod_data_source_file            ha0110.cif
_cod_data_source_block           ha0110a
_cod_original_cell_volume        824.9(7)
_cod_original_sg_symbol_H-M      'P nma'
_cod_original_formula_sum        'C6 H5 F3 N2 O1 S1'
_cod_database_code               2000468
4',6,7-Trimethoxyisoflavone
Shoja, M.; Acta Crystallographica Section C 48 (1992) 2033–2035; doi:10.1107/S010827019200249X

data_2000469
_publ_section_title
;
 4',6,7-Trimethoxyisoflavone
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2033
_journal_page_last               2035
_journal_paper_doi               10.1107/S010827019200249X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H16 O5'
_chemical_formula_weight         313.32
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2960(10)
_cell_length_b                   13.099(2)
_cell_length_c                   15.754(2)
_cell_volume                     1505.6(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.83
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             656
_cod_data_source_file            cr0410.cif
_cod_data_source_block           cr0410a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-28
;
_cod_database_code               2000469
Structure of a cinnamic acid derivative
Dyrbusch, M.; Egert, E.; Acta Crystallographica Section C 48 (1992) 2035–2036; doi:10.1107/S0108270192002221

data_2000470
_publ_section_title
;
 Structure of a cinnamic acid derivative
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2035
_journal_page_last               2036
_journal_paper_doi               10.1107/S0108270192002221
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C26 H29 N O2'
_chemical_formula_weight         387.5
_symmetry_cell_setting           orthorhombic
_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                   9.7770(10)
_cell_length_b                   10.2110(10)
_cell_length_c                   22.585(2)
_cell_volume                     2254.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.142
_exptl_crystal_F_000             832
_cod_data_source_file            se1000.cif
_cod_data_source_block           se1000a
_cod_original_cell_volume        2254.7(3)
_cod_original_formula_sum        'C26 H29 N1 O2'
_cod_database_code               2000470
Structures of two acylpyridinium salts and one simple pyridinium salt
Bryant, Jnr, G. L.; King, Jnr, J. A.; Acta Crystallographica Section C 48 (1992) 2036–2039; doi:10.1107/S0108270192002403

data_2000471
_publ_section_title
;
 Structures of two acylpyridinium salts and one simple pyridinium salt
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2036
_journal_page_last               2039
_journal_paper_doi               10.1107/S0108270192002403
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C14 H15 N2 O2,Cl1'
_chemical_formula_sum            'C14 H15 Cl N2 O2'
_chemical_formula_weight         278.7
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.26(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.397(4)
_cell_length_b                   5.865(2)
_cell_length_c                   13.482(5)
_cell_volume                     1333.2(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.283
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_F_000             584
_cod_data_source_file            cr0409.cif
_cod_data_source_block           cr0409a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1333.2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H15 Cl1 N2 O2'
_cod_database_code               2000471
Structures of two acylpyridinium salts and one simple pyridinium salt
Bryant, Jnr, G. L.; King, Jnr, J. A.; Acta Crystallographica Section C 48 (1992) 2036–2039; doi:10.1107/S0108270192002403

data_2000472
_publ_section_title
;
 Structures of two acylpyridinium salts and one simple pyridinium salt
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2036
_journal_page_last               2039
_journal_paper_doi               10.1107/S0108270192002403
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C14 H15 N2 O1,C24 H20 B1'
_chemical_formula_sum            'C38 H35 B N2 O'
_chemical_formula_weight         546.5
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                79.03(2)
_cell_angle_beta                 78.83(2)
_cell_angle_gamma                64.53(2)
_cell_formula_units_Z            2
_cell_length_a                   9.086(2)
_cell_length_b                   9.328(2)
_cell_length_c                   19.494(5)
_cell_volume                     1452.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.069
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_F_000             580
_cod_data_source_file            cr0409.cif
_cod_data_source_block           cr0409b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1452.6
_cod_original_formula_sum        'C38 H35 B1 N2 O1'
_cod_database_code               2000472
Structures of two acylpyridinium salts and one simple pyridinium salt
Bryant, Jnr, G. L.; King, Jnr, J. A.; Acta Crystallographica Section C 48 (1992) 2036–2039; doi:10.1107/S0108270192002403

data_2000473
_publ_section_title
;
 Structures of two acylpyridinium salts and one simple pyridinium salt
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2036
_journal_page_last               2039
_journal_paper_doi               10.1107/S0108270192002403
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C7 H11 N2,Cl1'
_chemical_formula_sum            'C7 H11 Cl N2'
_chemical_formula_weight         158.6
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.840(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.113(3)
_cell_length_b                   7.460(2)
_cell_length_c                   14.570(3)
_cell_volume                     1597.0(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.403
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_F_000             672
_cod_data_source_file            cr0409.cif
_cod_data_source_block           cr0409c
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1597.0
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C7 H11 Cl1 N2'
_cod_database_code               2000473
<i>anti</i>-2-Methyl-1,3-dithiane 1,1,3-trioxide
Barkley, J.; Dodd, I. M.; Harding, M. M.; Namwindwa, E. S.; Page, P. C. B.; Acta Crystallographica Section C 48 (1992) 2039–2040; doi:10.1107/S0108270192002749

data_2000474
_publ_section_title
;
 <i>anti</i>-2-Methyl-1,3-dithiane 1,1,3-trioxide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2039
_journal_page_last               2040
_journal_paper_doi               10.1107/S0108270192002749
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C5 H10 O3 S2'
_chemical_formula_weight         182.25
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0190(10)
_cell_length_b                   14.5220(10)
_cell_length_c                   6.0590(10)
_cell_volume                     793.57(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.593
_exptl_crystal_density_diffrn    1.525
_cod_data_source_file            li0123.cif
_cod_data_source_block           li0123a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        793.7
_cod_database_code               2000474
Structure of tetrafluoroisophthalonitrile
Britton, D.; Acta Crystallographica Section C 48 (1992) 2040–2042; doi:10.1107/S0108270192002567

data_2000475
_publ_section_title
;
 Structure of tetrafluoroisophthalonitrile
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2040
_journal_page_last               2042
_journal_paper_doi               10.1107/S0108270192002567
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H0 F4 N2'
_chemical_formula_weight         200.1
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.343(7)
_cell_length_b                   21.991(5)
_cell_length_c                   10.462(3)
_cell_volume                     3070(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.168
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_F_000             1568
_cod_data_source_file            cr0414.cif
_cod_data_source_block           cr0414a
_cod_original_cell_volume        3070(4)
_cod_database_code               2000475
2-{[(<i>o</i>-Hydroxyphenyl)imino]methyl}pyridine
Orr, Jnr, L. B.; Parsons, E. J.; Pennington, W. T.; Acta Crystallographica Section C 48 (1992) 2042–2043; doi:10.1107/S0108270192001483

data_2000476
_publ_section_title
;
 2-{[(<i>o</i>-Hydroxyphenyl)imino]methyl}pyridine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2042
_journal_page_last               2043
_journal_paper_doi               10.1107/S0108270192001483
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H10 N2 O'
_chemical_formula_weight         198.22
_symmetry_cell_setting           orthorhombic
_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                   4.722(2)
_cell_length_b                   12.284(5)
_cell_length_c                   17.638(11)
_cell_volume                     1023.1(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_F_000             416
_cod_data_source_file            st0559.cif
_cod_data_source_block           st0559a
_cod_original_cell_volume        1023.0(9)
_cod_original_formula_sum        'C12 H10 N2 O1'
_cod_database_code               2000476
Structure of an epoxytetradecahydropyrene
Nieger, M.; Egert, E.; Acta Crystallographica Section C 48 (1992) 2044–2045; doi:10.1107/S0108270192003160

data_2000477
_publ_section_title
;
 Structure of an epoxytetradecahydropyrene
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2044
_journal_page_last               2045
_journal_paper_doi               10.1107/S0108270192003160
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H24 O'
_chemical_formula_weight         232.4
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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                 117.43(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.960(10)
_cell_length_b                   5.339(5)
_cell_length_c                   16.97(2)
_cell_volume                     1283(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_F_000             512
_cod_data_source_file            se1003.cif
_cod_data_source_block           se1003a
_cod_original_cell_volume        1284(2)
_cod_original_formula_sum        'C16 H24 O1'
_cod_database_code               2000477
Structure of phenylazocarboxamide
Okabe, N.; Kisaichi, H.; Acta Crystallographica Section C 48 (1992) 2047–2049; doi:10.1107/S0108270192003081

data_2000478
_publ_section_title
;
 Structure of phenylazocarboxamide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2047
_journal_page_last               2049
_journal_paper_doi               10.1107/S0108270192003081
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C7 H7 N3 O'
_chemical_formula_weight         149.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.42(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.187(3)
_cell_length_b                   14.362(5)
_cell_length_c                   19.845(4)
_cell_volume                     1475.7(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.751
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_meas      1.341
_exptl_crystal_F_000             624
_cod_data_source_file            as0594.cif
_cod_data_source_block           as0594a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1476.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C7 H7 N3 O1'
_cod_database_code               2000478