LMucko/crystallography-open-database huggingface dataset:
Structure of 1-(3-deoxy-3-phenylseleno-2,5-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylofuranosyl)uracil
Yamaguchi, K.; Matsumura, G.; Haraguchi, K.; Itoh, Y.; Tanaka, H.; Miyasaka, T.; Acta Crystallographica Section C 48 (1992) 387–389; doi:10.1107/S0108270191009101

data_2001075
_publ_section_title
;Structure of
 1-(3-deoxy-3-phenylseleno-2,5-di-<i>O</i>-pivaloyl-\b-<small>D</small>-xylofuranosyl)uracil
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              387
_journal_page_last               389
_journal_paper_doi               10.1107/S0108270191009101
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C25 H23 N2 O7 Se'
_chemical_formula_weight         542.43
_chemical_name_systematic
;
 1-(3-Deoxy-3-phenylseleno-2,5-di-O-pivaloyl-\b-D-xylofuranosyl)uracil
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.050(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.0780(10)
_cell_length_b                   7.036(2)
_cell_length_c                   19.6030(10)
_cell_volume                     2748.0(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54050
_exptl_absorpt_coefficient_mu    2.238
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_F_000             1108
_cod_data_source_file            as0514.cif
_cod_data_source_block           as0514a
_cod_depositor_comments
;
 Adding the _chemical_name_systematic data item.

 Antanas Vaitkus,
 2017-08-07
;
_cod_original_cell_volume        2748.1(7)
_cod_original_formula_sum        'C25 H23 N2 O7 Se1'
_cod_database_code               2001075
Structure of terphenyldiol dibenzoate
Bryant, Jnr, G. L.; Nye, S. A.; Acta Crystallographica Section C 48 (1992) 389–391; doi:10.1107/S0108270191008247

data_2001076
_publ_section_title
;
 Structure of terphenyldiol dibenzoate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              389
_journal_page_last               391
_journal_paper_doi               10.1107/S0108270191008247
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C32 H22 O4'
_chemical_formula_weight         470.5
_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                   6.720(3)
_cell_length_b                   11.618(6)
_cell_length_c                   30.452(12)
_cell_volume                     2377.5(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_F_000             984
_cod_data_source_file            cr0337.cif
_cod_data_source_block           cr0337a
_cod_original_cell_volume        2377
_cod_database_code               2001076
Structure of glycine-selenious acid (1/1)
Ondráček, J.; Walzelová, M.; Mička, Z.; Novotný, J.; Acta Crystallographica Section C 48 (1992) 391–392; doi:10.1107/S0108270191008235

data_2001077
_publ_section_title
;
 Structure of glycine-selenious acid (1/1)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              391
_journal_page_last               392
_journal_paper_doi               10.1107/S0108270191008235
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C2 H5 N1 O2,H2 O3 Se1'
_chemical_formula_sum            'C2 H7 N O5 Se'
_chemical_formula_weight         204.04
_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                 94.920(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0490(10)
_cell_length_b                   13.677(2)
_cell_length_c                   8.6640(10)
_cell_volume                     596.09(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.19
_exptl_crystal_density_diffrn    2.27
_exptl_crystal_density_meas      2.260(10)
_exptl_crystal_F_000             400
_cod_data_source_file            li0090.cif
_cod_data_source_block           li0090a
_cod_depositor_comments
;

  Adding the _atom_site_type_label data item, to prevent confusion
  between hydrogen and holmium atoms.

  Saulius Gra\<zulis
  2013-10-17
;
_cod_original_cell_volume        596.10(10)
_cod_original_formula_sum        'C2 H7 N1 O5 Se1'
_cod_database_code               2001077
Structure of 2-[(4-cyanophenyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid, dimethyl ester
van Veggel, F. C. J. M.; Harkema, S.; Acta Crystallographica Section C 48 (1992) 393–395; doi:10.1107/S0108270191009083

data_2001078
_publ_section_title
;
 Structure of
 2-[(4-cyanophenyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid,
 dimethyl ester
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              393
_journal_page_last               395
_journal_paper_doi               10.1107/S0108270191009083
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H11 N O4 S2'
_chemical_formula_weight         333.39
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.52(3)
_cell_angle_beta                 96.05(2)
_cell_angle_gamma                93.0(3)
_cell_formula_units_Z            4
_cell_length_a                   20.611(7)
_cell_length_b                   9.452(5)
_cell_length_c                   7.856(4)
_cell_volume                     1501.6(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.355
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_F_000             688
_cod_data_source_file            al0486.cif
_cod_data_source_block           al0486a
_cod_original_cell_volume        1502(2)
_cod_original_formula_sum        'C15 H11 N1 O4 S2'
_cod_database_code               2001078
Structure of methyl 2-(2,5-dihydro-2-oxo-3-phenyl-5-furyl)lactate
Hynes, R. C.; Acta Crystallographica Section C 48 (1992) 395–396; doi:10.1107/S0108270191008399

data_2001079
_publ_section_title
;
 Structure of methyl 2-(2,5-dihydro-2-oxo-3-phenyl-5-furyl)lactate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              395
_journal_page_last               396
_journal_paper_doi               10.1107/S0108270191008399
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H14 O5'
_chemical_formula_weight         262.26
_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                 105.66(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.319(3)
_cell_length_b                   6.5115(15)
_cell_length_c                   18.105(5)
_cell_volume                     1284.9(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.826
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_F_000             553.89
_cod_data_source_file            cr0352.cif
_cod_data_source_block           cr0352a
_cod_original_cell_volume        1284.8(6)
_cod_database_code               2001079
Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)
Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J.; Acta Crystallographica Section C 48 (1992) 400–402; doi:10.1107/S0108270191009745

data_2001080
_publ_section_title
;
 Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              400
_journal_page_last               402
_journal_paper_doi               10.1107/S0108270191009745
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H16 O'
_chemical_formula_weight         248.33
_symmetry_cell_setting           monoclinic
_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                 103.12(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.139(6)
_cell_length_b                   15.823(2)
_cell_length_c                   12.472(5)
_cell_volume                     1372.0(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.53
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_F_000             528
_cod_data_source_file            cr0362.cif
_cod_data_source_block           cr0362a
_cod_original_formula_sum        'C18 H16 O1'
_cod_database_code               2001080
Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)
Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J.; Acta Crystallographica Section C 48 (1992) 400–402; doi:10.1107/S0108270191009745

data_2001081
_publ_section_title
;
 Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              400
_journal_page_last               402
_journal_paper_doi               10.1107/S0108270191009745
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H16 O'
_chemical_formula_weight         248.33
_symmetry_cell_setting           monoclinic
_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                 103.12(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.139(6)
_cell_length_b                   15.823(2)
_cell_length_c                   12.472(5)
_cell_volume                     1372.0(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_F_000             528
_cod_data_source_file            cr0362.cif
_cod_data_source_block           cr0362b
_cod_original_formula_sum        'C18 H16 O1'
_cod_database_code               2001081
Structure of [(1<i>S</i>)-1-[(1'<i>S</i>)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl] [(1<i>S</i>,2<i>S</i>,3<i>R</i>)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl] sulfone
Feneau-Dupont, J.; Declercq, J.-P.; Huart, C.; Acta Crystallographica Section C 48 (1992) 402–404; doi:10.1107/S0108270191008545

data_2001082
_publ_section_title
;Structure of
 [(1<i>S</i>)-1-[(1'<i>S</i>)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl]
 [(1<i>S</i>,2<i>S</i>,3<i>R</i>)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl]
 sulfone
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              402
_journal_page_last               404
_journal_paper_doi               10.1107/S0108270191008545
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H38 O6 S'
_chemical_formula_weight         430.60
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.88(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.922(2)
_cell_length_b                   16.733(2)
_cell_length_c                   10.070(3)
_cell_volume                     1158.0(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.49
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_F_000             468
_cod_data_source_file            ha0072.cif
_cod_data_source_block           ha0072a
_cod_original_cell_volume        1158.0(4)
_cod_original_formula_sum        'C22 H38 O6 S1'
_cod_database_code               2001082
<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine
Tinant, B.; Declercq, J.-P.; Henderson, P.; Acta Crystallographica Section C 48 (1992) 404–406; doi:10.1107/S0108270191009460

data_2001083
_publ_section_title
;<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine
 and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              404
_journal_page_last               406
_journal_paper_doi               10.1107/S0108270191009460
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C24 H45 N3 O4 Si'
_chemical_formula_weight         467.73
_symmetry_cell_setting           monoclinic
_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                 108.61(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.947(3)
_cell_length_b                   13.814(4)
_cell_length_c                   16.186(5)
_cell_volume                     2743.5(14)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.990
_exptl_crystal_density_diffrn    1.13
_exptl_crystal_F_000             1024
_cod_data_source_file            ha0075.cif
_cod_data_source_block           ha0075a
_cod_original_cell_volume        2744.0(10)
_cod_original_formula_sum        'C24 H45 N3 O4 Si1'
_cod_database_code               2001083
<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine
Tinant, B.; Declercq, J.-P.; Henderson, P.; Acta Crystallographica Section C 48 (1992) 404–406; doi:10.1107/S0108270191009460

data_2001084
_publ_section_title
;<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine
 and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              404
_journal_page_last               406
_journal_paper_doi               10.1107/S0108270191009460
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H26 N2 O3'
_chemical_formula_weight         306.41
_symmetry_cell_setting           monoclinic
_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                 103.25(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.579(2)
_cell_length_b                   9.6010(10)
_cell_length_c                   18.826(2)
_cell_volume                     1685.3(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.089
_exptl_crystal_density_diffrn    1.21
_exptl_crystal_F_000             664
_cod_data_source_file            ha0075.cif
_cod_data_source_block           ha0075b
_cod_original_cell_volume        1685.3(4)
_cod_database_code               2001084
Structure of tricaesium diaquanonaazidedineodymate(III)
Starynowicz, P.; Acta Crystallographica Section C 48 (1992) 4–5; doi:10.1107/S0108270191008430

data_2001085
_publ_section_title
;
 Structure of tricaesium diaquanonaazidedineodymate(III)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              4
_journal_page_last               5
_journal_paper_doi               10.1107/S0108270191008430
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'H4 N27 Nd2 O2,Cs3'
_chemical_formula_sum            'Cs3 H4 N27 Nd2 O2'
_chemical_formula_weight         1101.4
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.84(5)
_cell_angle_beta                 99.19(6)
_cell_angle_gamma                110.56(6)
_cell_formula_units_Z            1
_cell_length_a                   6.791(5)
_cell_length_b                   9.107(6)
_cell_length_c                   10.683(7)
_cell_volume                     592.0(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    9.03
_exptl_crystal_density_diffrn    3.089(4)
_exptl_crystal_density_meas      3.08
_exptl_crystal_F_000             494
_cod_data_source_file            mu0250.cif
_cod_data_source_block           mu0250a
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-08
;
_cod_original_cell_volume        592.0(9)
_cod_database_code               2001085
Structure of trisodium hexafluoromanganate(III)
Englich, U.; Massa, W.; Tressaud, A.; Acta Crystallographica Section C 48 (1992) 6–8; doi:10.1107/S0108270191009071

data_2001086
_publ_section_title
;
 Structure of trisodium hexafluoromanganate(III)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              6
_journal_page_last               8
_journal_paper_doi               10.1107/S0108270191009071
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'F6 Mn Na3'
_chemical_formula_weight         237.90
_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                 88.964(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4709(9)
_cell_length_b                   5.6830(6)
_cell_length_c                   8.0734(12)
_cell_volume                     250.97(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    2.76
_exptl_crystal_density_diffrn    3.15
_exptl_crystal_F_000             224
_cod_data_source_file            al0476.cif
_cod_data_source_block           al0476a
_cod_original_formula_sum        'F6 Mn1 Na3'
_cod_database_code               2001086
Structure of the cyclic barium copper silicate Ba~2~Cu~2~[Si~4~O~12~] at 300 K
Janczak, J.; Kubiak, R.; Acta Crystallographica Section C 48 (1992) 8–10; doi:10.1107/S0108270191002354

data_2001087
_publ_section_title
;
 Structure of the cyclic barium copper silicate Ba~2~Cu~2~[Si~4~O~12~]
 at 300 K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              8
_journal_page_last               10
_journal_paper_doi               10.1107/S0108270191002354
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba2 Cu2 O12 Si4'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.052(2)
_cell_length_b                   7.052(2)
_cell_length_c                   11.150(3)
_cell_volume                     554.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.14
_exptl_crystal_density_diffrn    4.228
_exptl_crystal_F_000             644
_cod_data_source_file            ab0183.cif
_cod_data_source_block           ab0183a
_cod_original_cell_volume        554.4(4)
_cod_original_formula_sum        'Ba2 Cu2 Si4 O12'
_cod_database_code               2001087
Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II)
Haanstra, W. G.; Driessen, W. L.; Reedijk, J.; Acta Crystallographica Section C 48 (1992) 14–16; doi:10.1107/S0108270191009204

data_2001088
_publ_section_title
;Structure of
 [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              14
_journal_page_last               16
_journal_paper_doi               10.1107/S0108270191009204
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C9 H16 Cu N4 O6 S'
_chemical_formula_weight         371.9
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.550(10)
_cell_length_b                   7.877(2)
_cell_length_c                   16.866(5)
_cell_volume                     1534.5(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.6
_exptl_crystal_density_diffrn    1.6
_exptl_crystal_F_000             766
_cod_data_source_file            li0094.cif
_cod_data_source_block           li0094a
_cod_original_cell_volume        1534
_cod_original_formula_sum        'C9 H16 Cu1 N4 O6 S1'
_cod_database_code               2001088