LMucko/crystallography-open-database huggingface dataset:
Structure of the organic semiconducting radical cation salt tris(2,3,6,7-tetramethoxynaphthalene) bis(hexafluoroarsenate)
Olovsson, G.; Olovsson, I.; Acta Crystallographica Section B 47 (1991) 355–362; doi:10.1107/S010876819100040X

data_2100724
_publ_section_title
;
 Structure of the organic semiconducting radical cation salt
 tris(2,3,6,7-tetramethoxynaphthalene) bis(hexafluoroarsenate)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              355
_journal_page_last               362
_journal_paper_doi               10.1107/S010876819100040X
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         (C14H16O4)3(AsF6)2
_chemical_formula_sum            'C42 H48 As2 F12 O12'
_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                77.841(10)
_cell_angle_beta                 65.935(9)
_cell_angle_gamma                76.633(11)
_cell_formula_units_Z            1
_cell_length_a                   10.1564(15)
_cell_length_b                   11.0323(13)
_cell_length_c                   11.9157(12)
_cell_volume                     1175.8(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.52
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_F_000             570
_cod_data_source_file            ab0185.cif
_cod_data_source_block           ab0185a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1175.9(2)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C42 H48 O12 As2 F12'
_cod_database_code               2100724
Pb^2+^ cation ordering in Pb~3~(Mo~4~O~6~)~4~
Wang, S.-L.; Yeh, J.-Y.; Acta Crystallographica Section B 47 (1991) 446–451; doi:10.1107/S0108768191001672

data_2100725
_publ_section_title
;
 Pb^2+^ cation ordering in Pb~3~(Mo~4~O~6~)~4~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              446
_journal_page_last               451
_journal_paper_doi               10.1107/S0108768191001672
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Mo8 O24 Pb3'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6150(10)
_cell_length_b                   9.6150(10)
_cell_length_c                   11.362(3)
_cell_volume                     1050.4(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    33.21
_exptl_crystal_density_diffrn    8.033
_exptl_crystal_F_000             2220
_cod_data_source_file            cr0294.cif
_cod_data_source_block           cr0294a
_cod_original_sg_symbol_H-M      P4/mnc
_cod_original_formula_sum        'Pb3 Mo8 O24'
_cod_database_code               2100725
Pb^2+^ cation ordering in Pb~3~(Mo~4~O~6~)~4~
Wang, S.-L.; Yeh, J.-Y.; Acta Crystallographica Section B 47 (1991) 446–451; doi:10.1107/S0108768191001672

data_2100726
_publ_section_title
;
 Pb^2+^ cation ordering in Pb~3~(Mo~4~O~6~)~4~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              446
_journal_page_last               451
_journal_paper_doi               10.1107/S0108768191001672
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Mo16 O24 Pb3'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6150(10)
_cell_length_b                   9.6150(10)
_cell_length_c                   11.362(3)
_cell_volume                     1050.4(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    33.21
_exptl_crystal_density_diffrn    8.033
_exptl_crystal_F_000             2220
_cod_data_source_file            cr0294.cif
_cod_data_source_block           cr0294b
_cod_original_sg_symbol_H-M      P4/mnc
_cod_original_formula_sum        'Pb3 Mo16 O24'
_cod_database_code               2100726
Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 635–643; doi:10.1107/S0108768191003075

data_2100727
_publ_section_title
;
 Structural aspects of the Na^+^ \\rightarrow Cd^2+^ ion-exchange
 process in Na^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              635
_journal_page_last               643
_journal_paper_doi               10.1107/S0108768191003075
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al11 Na O17'
_chemical_formula_weight         598.6
_symmetry_cell_setting           hexagonal
_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                   5.5929(4)
_cell_length_b                   5.5929(4)
_cell_length_c                   22.526(4)
_cell_volume                     704.63(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.03
_exptl_crystal_density_diffrn    3.26
_exptl_crystal_F_000             586.6
_cod_data_source_file            ab0141.cif
_cod_data_source_block           ab0141a
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        610.22
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Na1 Al11 O17'
_cod_database_code               2100727
Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 635–643; doi:10.1107/S0108768191003075

data_2100728
_publ_section_title
;
 Structural aspects of the Na^+^ \\rightarrow Cd^2+^ ion-exchange
 process in Na^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              635
_journal_page_last               643
_journal_paper_doi               10.1107/S0108768191003075
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al11 Cd0.11 Na O17.11'
_chemical_formula_weight         592.3
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   P63/mmc
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.5921(9)
_cell_length_b                   5.5921(9)
_cell_length_c                   22.526(7)
_cell_volume                     610.05
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.18
_exptl_crystal_density_diffrn    3.3
_exptl_crystal_F_000             592.3
_cod_data_source_file            ab0141.cif
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_formula_sum        'Na1 Cd0.11 Al11 O17.11'
_cod_database_code               2100728
Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 635–643; doi:10.1107/S0108768191003075

data_2100729
_publ_section_title
;
 Structural aspects of the Na^+^ \\rightarrow Cd^2+^ ion-exchange
 process in Na^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              635
_journal_page_last               643
_journal_paper_doi               10.1107/S0108768191003075
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al11 Cd0.225 Na0.77 O17.11'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   P63/mmc
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.5906(3)
_cell_length_b                   5.5906(3)
_cell_length_c                   22.519(3)
_cell_volume                     609.53
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.36
_exptl_crystal_density_diffrn    3.34
_exptl_crystal_F_000             598.3
_cod_data_source_file            ab0141.cif
_cod_original_formula_sum        'Na0.77 Cd0.225 Al11 O17.11'
_cod_database_code               2100729
Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 635–643; doi:10.1107/S0108768191003075

data_2100730
_publ_section_title
;
 Structural aspects of the Na^+^ \\rightarrow Cd^2+^ ion-exchange
 process in Na^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              635
_journal_page_last               643
_journal_paper_doi               10.1107/S0108768191003075
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al11 Cd0.61 O17.11'
_symmetry_cell_setting           hexagonal
_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                   5.5869(4)
_cell_length_b                   5.5869(4)
_cell_length_c                   22.370(4)
_cell_volume                     698.24(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.11
_exptl_crystal_density_diffrn    3.51
_exptl_crystal_F_000             618.1
_cod_data_source_file            ab0141.cif
_cod_data_source_block           ab0141d
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        604.71
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Cd0.61 Al11 O17.11'
_cod_database_code               2100730
A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 643–650; doi:10.1107/S0108768191003130

data_2100731
_publ_section_title
;
 A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^
 into Ag^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              643
_journal_page_last               650
_journal_paper_doi               10.1107/S0108768191003130
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag Al11 O17.11'
_chemical_formula_weight         702.1
_symmetry_cell_setting           hexagonal
_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                   5.5914(3)
_cell_length_b                   5.5914(3)
_cell_length_c                   22.430(4)
_cell_volume                     701.25(14)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.93
_exptl_crystal_density_diffrn    3.82
_exptl_crystal_F_000             674.4
_cod_data_source_file            ab0142.cif
_cod_data_source_block           ab0142a
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        607.29
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Ag1 Al11 O17.11'
_cod_database_code               2100731
A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 643–650; doi:10.1107/S0108768191003130

data_2100732
_publ_section_title
;
 A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^
 into Ag^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              643
_journal_page_last               650
_journal_paper_doi               10.1107/S0108768191003130
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag Al11 Cd O17.11'
_chemical_formula_weight         697.1
_symmetry_cell_setting           hexagonal
_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                   5.6032(2)
_cell_length_b                   5.6032(2)
_cell_length_c                   22.504(3)
_cell_volume                     706.53(10)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.75
_exptl_crystal_density_diffrn    3.80
_exptl_crystal_F_000             670.0
_cod_data_source_file            ab0142.cif
_cod_data_source_block           ab0142b
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        611.88
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Ag1 Cd1 Al11 O17.11'
_cod_database_code               2100732
A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 643–650; doi:10.1107/S0108768191003130

data_2100733
_publ_section_title
;
 A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^
 into Ag^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              643
_journal_page_last               650
_journal_paper_doi               10.1107/S0108768191003130
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag Al11 Cd O17.11'
_chemical_formula_weight         680.7
_symmetry_cell_setting           hexagonal
_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                   5.59590(10)
_cell_length_b                   5.59590(10)
_cell_length_c                   22.4580(10)
_cell_volume                     703.25(4)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.54
_exptl_crystal_density_diffrn    3.71
_exptl_crystal_F_000             655.5
_cod_data_source_file            ab0142.cif
_cod_data_source_block           ab0142c
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        609.53
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Ag1 Cd1 Al11 O17.11'
_cod_database_code               2100733
A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 643–650; doi:10.1107/S0108768191003130

data_2100734
_publ_section_title
;
 A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^
 into Ag^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              643
_journal_page_last               650
_journal_paper_doi               10.1107/S0108768191003130
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag Al11 Cd O17.11'
_chemical_formula_weight         651.1
_symmetry_cell_setting           hexagonal
_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                   5.58960(10)
_cell_length_b                   5.58960(10)
_cell_length_c                   22.434(8)
_cell_volume                     700.9(3)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.24
_exptl_crystal_density_diffrn    3.62
_exptl_crystal_F_000             629.0
_cod_data_source_file            ab0142.cif
_cod_data_source_block           ab0142d
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        607.04
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Ag1 Cd1 Al11 O17.11'
_cod_database_code               2100734
A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina
Edström, K.; Thomas, J. O.; Farrington, G. C.; Acta Crystallographica Section B 47 (1991) 643–650; doi:10.1107/S0108768191003130

data_2100735
_publ_section_title
;
 A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^
 into Ag^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              643
_journal_page_last               650
_journal_paper_doi               10.1107/S0108768191003130
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag Al11 Cd O17.11'
_chemical_formula_weight         644.8
_symmetry_cell_setting           hexagonal
_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                   5.5900(7)
_cell_length_b                   5.5900(7)
_cell_length_c                   22.396(6)
_cell_volume                     699.8(2)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.15
_exptl_crystal_density_diffrn    3.55
_exptl_crystal_F_000             623.4
_cod_data_source_file            ab0142.cif
_cod_data_source_block           ab0142e
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        606.05
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Ag1 Cd1 Al11 O17.11'
_cod_database_code               2100735
Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40
Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.; Acta Crystallographica Section B 47 (1991) 672–678; doi:10.1107/S0108768191004883

data_2100736
_publ_section_title
;
 Structural changes in O'-sialons,
 Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {\/leq}
 <i>x</i> {\/leq} 0.40
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              672
_journal_page_last               678
_journal_paper_doi               10.1107/S0108768191004883
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al0.1 N1.96 O1.1 Si1.9'
_chemical_formula_weight         100.27
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8940(9)
_cell_length_b                   5.4978(6)
_cell_length_c                   4.8582(6)
_cell_volume                     237.55(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.540598
_exptl_crystal_density_diffrn    2.804
_cod_data_source_file            ab0203.cif
_cod_data_source_block           ab0203a
_cod_original_cell_volume        237.56
_cod_original_formula_sum        'Al0.10 N1.96 O1.10 Si1.90'
_cod_database_code               2100736
Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40
Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.; Acta Crystallographica Section B 47 (1991) 672–678; doi:10.1107/S0108768191004883

data_2100737
_publ_section_title
;
 Structural changes in O'-sialons,
 Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {\/leq}
 <i>x</i> {\/leq} 0.40
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              672
_journal_page_last               678
_journal_paper_doi               10.1107/S0108768191004883
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al0.16 N1.84 O1.16 Si1.84'
_chemical_formula_weight         100.33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8967(8)
_cell_length_b                   5.4947(4)
_cell_length_c                   4.8581(4)
_cell_volume                     237.49(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.540598
_exptl_crystal_density_diffrn    2.805
_cod_data_source_file            ab0203.cif
_cod_data_source_block           ab0203b
_cod_original_cell_volume        237.60
_cod_database_code               2100737