LMucko/crystallography-open-database huggingface dataset:
Structure of di(<i>n</i>-butyl)bis(morpholinocarbodithioato-κ^2^<i>S,S'</i>)tin(IV)
Vrábel, V.; Kellö, E.; Acta Crystallographica Section C 49 (1993) 873–875; doi:10.1107/S0108270192013040

data_2001668
_publ_section_title
;
 Structure of
 di(<i>n</i>-butyl)bis(morpholinocarbodithioato-\k^2^<i>S,S'</i>)tin(IV)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              873
_journal_page_last               875
_journal_paper_doi               10.1107/S0108270192013040
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C18 H34 N2 O2 S4 Sn'
_chemical_formula_sum            'C18 H34 N2 O2 S4 Sn'
_chemical_formula_weight         557.41
_symmetry_cell_setting           monoclinic
_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                 93.00(9)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   17.152(14)
_cell_length_b                   7.146(5)
_cell_length_c                   21.00(3)
_cell_volume                     2570(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.32
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_density_meas      1.43(2)
_exptl_crystal_F_000             1144
_cod_data_source_file            du1017.cif
_cod_data_source_block           du1017_structure_1_of_1
_cod_original_cell_volume        2570(4)
_cod_database_code               2001668
Structure of a lead(II) complex of a new 13-membered macrocycle with two pendant carboxymethyl groups
Inoue, M. B.; Fernando, Q.; Villegas, C. A.; Inoue, M.; Acta Crystallographica, Section C: Crystal Structure Communications 49 (1993) 875–878; doi:10.1107/s0108270192013593

data_2001669
_publ_section_title
;
 Structure of a lead(II) complex of a new 13-membered macrocycle with
 two pendant carboxymethyl groups
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   5
_journal_name_full
;
  Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              875
_journal_page_last               878
_journal_paper_doi               10.1107/s0108270192013593
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C13 H20 N4 O6 Pb1,3(H2 O1)'
_chemical_formula_sum            'C13 H26 N4 O9 Pb'
_chemical_formula_weight         589.56
_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                 108.580(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9990(10)
_cell_length_b                   23.0550(10)
_cell_length_c                   9.3820(10)
_cell_volume                     1845.0(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    9.26
_exptl_crystal_density_diffrn    2.12
_exptl_crystal_F_000             1144
_cod_data_source_file            cr1028.cif
_cod_data_source_block           cr1028_structure_1_of_1
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-02
;
_cod_original_cell_volume        1845.1(4)
_cod_original_formula_sum        'C13 H26 N4 O9 Pb1'
_cod_database_code               2001669
Structure of hydroxo(methyl)bis(η^5^-pentamethylcyclopentadienyl)tantalum(V) hydroxotris(pentafluorophenyl)borate
Schaefer, W. P.; Quan, R. W.; Bercaw, J. E.; Acta Crystallographica Section C 49 (1993) 878–881; doi:10.1107/S0108270192003998

data_2001670
_publ_section_title
;
 Structure of
 hydroxo(methyl)bis(\h^5^-pentamethylcyclopentadienyl)tantalum(V)
 hydroxotris(pentafluorophenyl)borate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              878
_journal_page_last               881
_journal_paper_doi               10.1107/S0108270192003998
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C39 H63 B F15 O2 Ta'
_chemical_formula_weight         1040.66
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.37(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.217(2)
_cell_length_b                   16.848(6)
_cell_length_c                   18.834(3)
_cell_volume                     3813.3(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.955
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_F_000             2104
_cod_data_source_file            hh0591.cif
_cod_data_source_block           hh0591_structure-1_of_1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-26

 Marking five disorder assemblies after consulting the original publication.
 Atoms 'H16A', 'H16C', 'H16E' and 'H16B', 'H16D', 'H16F'' were marked as
 belonging to disorder groups '1' and '2' of the disorder assembly 'A' with
 the occupancies of 0.5 respectively. Following the same rule, four more
 hydrogen atom sextuples ('H17*', 'H18*', 'H19*', 'H20*') were marked as
 belonging to disorder assemblies 'B', 'C', 'D' and 'E' respectively.

 Antanas Vaitkus,
 2017-01-26

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-26
;
_cod_original_cell_volume        3813.1(15)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C39 H63 B1 F15 O2 Ta1'
_cod_database_code               2001670
Bis[di(imidazol-2-yl)phosphinato-<i>N</i>^3^,<i>N</i>^3'^]platinum(II) tetrahydrate
Britten, J. F.; Lock, C. J. L.; Wang, Z.; Acta Crystallographica Section C 49 (1993) 881–884; doi:10.1107/S0108270192013258

data_2001671
_publ_section_title
;
 Bis[di(imidazol-2-yl)phosphinato-<i>N</i>^3^,<i>N</i>^3'^]platinum(II)
 tetrahydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              881
_journal_page_last               884
_journal_paper_doi               10.1107/S0108270192013258
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C12 H12 N8 O4 P2 Pt,4(H2 O)'
_chemical_formula_sum            'C12 H20 N8 O8 P2 Pt'
_chemical_formula_weight         661.4
_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                109.46(3)
_cell_angle_beta                 98.56(3)
_cell_angle_gamma                98.29(3)
_cell_formula_units_Z            1
_cell_length_a                   7.4730(10)
_cell_length_b                   7.779(2)
_cell_length_c                   9.787(2)
_cell_volume                     518.9(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.038
_exptl_crystal_density_diffrn    2.116
_exptl_crystal_density_meas      2.110(10)
_exptl_crystal_F_000             320
_cod_data_source_file            br1016.cif
_cod_data_source_block           br1016_structure_1_of_1
_cod_original_cell_volume        518.9(3)
_cod_database_code               2001671
Structure of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)lead(II) eosin dihydrate
García-Granda, S.; Díaz, M. R.; Gómez-Beltrán, F.; Blanco-Gomís, D.; Acta Crystallographica Section C 49 (1993) 884–886; doi:10.1107/S010827019200979X

data_2001672
_publ_section_title
;
 Structure of
 (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)lead(II)
 eosin dihydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              884
_journal_page_last               886
_journal_paper_doi               10.1107/S010827019200979X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'Pb1,C20 H6 Br4 O5,C18 H36 N2 O6,2(H2 O1)'
_chemical_formula_sum            'C38 H46 Br4 N2 O13 Pb'
_chemical_formula_weight         1265.60
_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                101.46(5)
_cell_angle_beta                 96.45(6)
_cell_angle_gamma                113.60(3)
_cell_formula_units_Z            2
_cell_length_a                   12.079(2)
_cell_length_b                   12.671(3)
_cell_length_c                   18.01(2)
_cell_volume                     2418(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.84
_exptl_crystal_density_diffrn    1.74
_exptl_crystal_F_000             1228
_cod_data_source_file            hu0410.cif
_cod_data_source_block           hu0410_structure_1_of_1
_cod_original_formula_sum        'C38 H46 Br4 N2 O13 Pb1'
_cod_database_code               2001672
Structure of the dimer of dibutylhydroxystannyl perchlorate
Lambert, J. B.; Kuhlmann, B.; Stern, C. L.; Acta Crystallographica Section C 49 (1993) 887–890; doi:10.1107/S0108270192011648

data_2001673
_publ_section_title
;
 Structure of the dimer of dibutylhydroxystannyl perchlorate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              887
_journal_page_last               890
_journal_paper_doi               10.1107/S0108270192011648
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C8 H19 Cl1 O5 Sn1'
_chemical_formula_sum            'C8 H19 Cl O5 Sn'
_chemical_formula_weight         349.38
_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                 103.97(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.749(3)
_cell_length_b                   8.300(2)
_cell_length_c                   14.725(2)
_cell_volume                     1393.5(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.03
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_F_000             696
_cod_data_source_file            br1020.cif
_cod_data_source_block           br1020_structure_1_of_1
_cod_original_cell_volume        1393.0(10)
_cod_original_formula_sum        'C8 H19 Cl1 O5 Sn1'
_cod_database_code               2001673
Mixed chelate complexes. II. Structures of <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate
Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.; Acta Crystallographica Section C 49 (1993) 890–893; doi:10.1107/S0108270192000556

data_2001674
_publ_section_title
;
 Mixed chelate complexes. II. Structures of
 <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II)
 nitrite monohydrate and
 aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II)
 monohydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              890
_journal_page_last               893
_journal_paper_doi               10.1107/S0108270192000556
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C27 H24 Cu1 N3 O3,N1 O2,H2 O1'
_chemical_formula_sum            'C27 H26 Cu N4 O6'
_chemical_formula_weight         566.1
_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                 102.17(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.864(3)
_cell_length_b                   7.726(2)
_cell_length_c                   14.832(3)
_cell_volume                     1329.0(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.905
_exptl_crystal_density_diffrn    1.414
_cod_data_source_file            mu0252.cif
_cod_data_source_block           mu0252_structure_1_of_2
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30
;
_cod_original_cell_volume        1329.0(9)
_cod_original_formula_sum        'C27 H26 Cu1 N4 O6'
_cod_database_code               2001674
Mixed chelate complexes. II. Structures of <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate
Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.; Acta Crystallographica Section C 49 (1993) 890–893; doi:10.1107/S0108270192000556

data_2001675
_publ_section_title
;
 Mixed chelate complexes. II. Structures of
 <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II)
 nitrite monohydrate and
 aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II)
 monohydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              890
_journal_page_last               893
_journal_paper_doi               10.1107/S0108270192000556
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C16 H18 Cu1 N4 O6,H2 O1'
_chemical_formula_sum            'C16 H20 Cu N4 O7'
_chemical_formula_weight         443.9
_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                104.83(2)
_cell_angle_beta                 83.47(2)
_cell_angle_gamma                119.93(2)
_cell_formula_units_Z            2
_cell_length_a                   14.138(3)
_cell_length_b                   10.016(2)
_cell_length_c                   7.565(2)
_cell_volume                     897.3(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.317
_exptl_crystal_density_diffrn    1.642
_cod_data_source_file            mu0252.cif
_cod_data_source_block           mu0252_structure_2_of_2
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30
;
_cod_original_cell_volume        897.3(6)
_cod_original_formula_sum        'C16 H20 Cu1 N4 O7'
_cod_database_code               2001675
Structural characterization of W^4^—WCl~4~(PMePh~2~)~4~
Cotton, F. A.; Eglin, J. L.; James, C. A.; Acta Crystallographica Section C 49 (1993) 893–896; doi:10.1107/S0108270193000666

data_2001676
_publ_section_title
;
 Structural characterization of W^4^---WCl~4~(PMePh~2~)~4~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              893
_journal_page_last               896
_journal_paper_doi               10.1107/S0108270193000666
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C52 H52 Cl4 P4 W2,C6 H6'
_chemical_formula_sum            'C58 H58 Cl4 P4 W2'
_chemical_formula_weight         1388.64
_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            8
_cell_length_a                   12.2783(8)
_cell_length_b                   21.5387(6)
_cell_length_c                   41.9626(2)
_cell_volume                     11097.4(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.5827
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_F_000             5456
_cod_data_source_file            hh1033.cif
_cod_data_source_block           hh1033_structure_1_of_1
_cod_original_cell_volume        11097(8)
_cod_database_code               2001676
Structure of <i>N</i>-[(4-chlorophenyl)di(methoxy)methyl]acetamide
Hajjem, B.; Kallel, A.; Svoboda, I.; Baccar, B.; Acta Crystallographica Section C 49 (1993) 898–900; doi:10.1107/S0108270192012046

data_2001677
_publ_section_title
;
 Structure of <i>N</i>-[(4-chlorophenyl)di(methoxy)methyl]acetamide
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              898
_journal_page_last               900
_journal_paper_doi               10.1107/S0108270192012046
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C11 H14 Cl1 N1 O3'
_chemical_formula_sum            'C11 H14 Cl N O3'
_chemical_formula_weight         243.69
_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                   12.032(4)
_cell_length_b                   10.724(4)
_cell_length_c                   9.502(3)
_cell_volume                     1226.1(7)
_diffrn_radiation_type           MO
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.301
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_F_000             512
_cod_data_source_file            mu1001.cif
_cod_data_source_block           mu1001_structure_1_of_1
_cod_original_cell_volume        1226.0(10)
_cod_original_formula_sum        'C11 H14 Cl1 N1 O3'
_cod_database_code               2001677
Structure of 15-phenyl-14-dehydrosparteine
Katrusiak, A.; Acta Crystallographica Section C 49 (1993) 900–902; doi:10.1107/S0108270192012708

data_2001678
_publ_section_title
;
 Structure of 15-phenyl-14-dehydrosparteine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              900
_journal_page_last               902
_journal_paper_doi               10.1107/S0108270192012708
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C21 H28 N2'
_chemical_formula_weight         308.47
_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                   8.9590(10)
_cell_length_b                   14.1370(10)
_cell_length_c                   13.9340(10)
_cell_volume                     1764.8(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.480
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_F_000             672
_cod_data_source_file            hu1008.cif
_cod_data_source_block           hu1008_structure_1_of_1
_cod_database_code               2001678
7-Chloromethyl-12-methylbenz[<i>a</i>]anthracene
Carrell, H. L.; Acta Crystallographica Section C 49 (1993) 902–905; doi:10.1107/S0108270192008278

data_2001679
_publ_section_title
;
 7-Chloromethyl-12-methylbenz[<i>a</i>]anthracene
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              902
_journal_page_last               905
_journal_paper_doi               10.1107/S0108270192008278
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H15 Cl'
_chemical_formula_weight         290.8
_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                 108.910(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.449(4)
_cell_length_b                   11.473(2)
_cell_length_c                   13.025(2)
_cell_volume                     2890.9(9)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.114
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_F_000             1216
_cod_data_source_file            cr0405.cif
_cod_data_source_block           cr0405_structure_1_of_1
_cod_original_cell_volume        2890.9
_cod_original_formula_sum        'C20 H15 Cl1'
_cod_database_code               2001679
Structure of 4,7-bis(4-mercaptobenzoyl)-1-tosyl-1,4,7-triazacyclononane
Evans, D. J.; Hughes, D. L.; Leigh, G. J.; Garcia, G.; Santana, M. D.; Acta Crystallographica Section C 49 (1993) 905–908; doi:10.1107/S0108270192012770

data_2001680
_publ_section_title
;
 Structure of
 4,7-bis(4-mercaptobenzoyl)-1-tosyl-1,4,7-triazacyclononane
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              905
_journal_page_last               908
_journal_paper_doi               10.1107/S0108270192012770
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C27 H29 N3 O4 S3,0.5(C6 H14)'
_chemical_formula_sum            'C30 H36 N3 O4 S3'
_chemical_formula_weight         598.8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.
_cell_angle_beta                 100.07(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   24.113(5)
_cell_length_b                   11.020(5)
_cell_length_c                   12.065(4)
_cell_volume                     3156.6(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.26
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_F_000             1268
_cod_data_source_file            al1031.cif
_cod_data_source_block           al1031_Structure_1_of_1
_cod_original_cell_volume        3156.7
_cod_database_code               2001680