LMucko/crystallography-open-database huggingface dataset:
Charge densities of two rutile structures: NiF~2~ and CoF~2~
Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R.; Acta Crystallographica Section B 49 (1993) 591–599; doi:10.1107/S0108768193001624

data_2100986
_publ_section_title
;
 Charge densities of two rutile structures: NiF~2~ and CoF~2~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              591
_journal_page_last               599
_journal_paper_doi               10.1107/S0108768193001624
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Co F2'
_chemical_formula_weight         96.93
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6950(7)
_cell_length_b                   4.6950(7)
_cell_length_c                   3.1817(5)
_cell_volume                     70.10
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7017
_exptl_absorpt_coefficient_mu    5.865
_exptl_crystal_density_diffrn    4.590
_exptl_crystal_F_000             90
_cod_data_source_file            al0547.cif
_cod_database_code               2100986
Charge densities of two rutile structures: NiF~2~ and CoF~2~
Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R.; Acta Crystallographica Section B 49 (1993) 591–599; doi:10.1107/S0108768193001624

data_2100987
_publ_section_title
;
 Charge densities of two rutile structures: NiF~2~ and CoF~2~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              591
_journal_page_last               599
_journal_paper_doi               10.1107/S0108768193001624
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Co F2'
_chemical_formula_weight         96.93
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6950(7)
_cell_length_b                   4.6950(7)
_cell_length_c                   3.1817(5)
_cell_volume                     70.10
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    5.865
_exptl_crystal_density_diffrn    4.590
_exptl_crystal_F_000             90
_cod_data_source_file            al0547.cif
_cod_database_code               2100987
Modulation wave approach to the structural parameterization and Rietveld refinement of low carnegieite
Withers, R. L.; Thompson, J. G.; Acta Crystallographica Section B 49 (1993) 614–626; doi:10.1107/S010876819300134X

data_2100988
_publ_section_title
;
 Modulation wave approach to the structural parameterization and
 Rietveld refinement of low carnegieite
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              614
_journal_page_last               626
_journal_paper_doi               10.1107/S010876819300134X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'Na1 Al1 Si1 O4'
_chemical_formula_sum            'Al Na O4 Si'
_chemical_formula_weight         142
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a -2ab'
_symmetry_space_group_name_H-M   'P b 21 a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.261
_cell_length_b                   14.030
_cell_length_c                   5.1566
_cell_volume                     742.354
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.5717
_exptl_crystal_density_diffrn    1.27
_cod_data_source_file            al0548.cif
_cod_data_source_block           al0548a
_cod_original_cell_volume        742.35
_cod_original_formula_sum        'Al1 Na1 O4 Si1'
_cod_database_code               2100988
X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)
Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.; Acta Crystallographica Section B 49 (1993) 691–698; doi:10.1107/S010876819300182X

data_2100989
_publ_section_title
;
 X-ray diffraction study of the ferroelectric phase transition of
 (CH~3~)~4~NCdBr~3~ (TMCB)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              691
_journal_page_last               698
_journal_paper_doi               10.1107/S010876819300182X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H12 Br3 Cd N'
_chemical_formula_weight         426.27
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            2
_cell_length_a                   9.388(2)
_cell_length_b                   9.388(2)
_cell_length_c                   6.991(5)
_cell_volume                     533.6(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    13.103
_exptl_crystal_density_diffrn    2.653(3)
_exptl_crystal_F_000             392
_cod_data_source_file            al0552.cif
_cod_original_formula_sum        'C4 H12 Br3 Cd1 N1'
_cod_database_code               2100989
X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)
Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.; Acta Crystallographica Section B 49 (1993) 691–698; doi:10.1107/S010876819300182X

data_2100990
_publ_section_title
;
 X-ray diffraction study of the ferroelectric phase transition of
 (CH~3~)~4~NCdBr~3~ (TMCB)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              691
_journal_page_last               698
_journal_paper_doi               10.1107/S010876819300182X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H12 Br3 Cd N'
_chemical_formula_weight         426.27
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            6
_cell_length_a                   9.219(4)
_cell_length_b                   9.219(4)
_cell_length_c                   20.860(10)
_cell_volume                     1535.4(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    13.656
_exptl_crystal_density_diffrn    2.765(4)
_exptl_crystal_F_000             1176
_cod_data_source_file            al0552.cif
_cod_data_source_block           al0552b
_cod_original_cell_volume        1536(2)
_cod_original_formula_sum        'C4 H12 Br3 Cd1 N1'
_cod_database_code               2100990
X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)
Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.; Acta Crystallographica Section B 49 (1993) 691–698; doi:10.1107/S010876819300182X

data_2100991
_publ_section_title
;
 X-ray diffraction study of the ferroelectric phase transition of
 (CH~3~)~4~NCdBr~3~ (TMCB)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              691
_journal_page_last               698
_journal_paper_doi               10.1107/S010876819300182X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H12 Br3 Cd N'
_chemical_formula_weight         426.27
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            2
_cell_length_a                   9.388(2)
_cell_length_b                   9.388(2)
_cell_length_c                   6.991(5)
_cell_volume                     533.6(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    13.103
_exptl_crystal_density_diffrn    2.653(3)
_exptl_crystal_F_000             392
_cod_data_source_file            al0552.cif
_cod_original_formula_sum        'C4 H12 Br3 Cd1 N1'
_cod_database_code               2100991
X-ray study of the electron density in calcite, CaCo~3~
Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Acta Crystallographica Section B 49 (1993) 636–641; doi:10.1107/S0108768193002575

data_2100992
_publ_section_title
;
 X-ray study of the electron density in calcite, CaCo~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              636
_journal_page_last               641
_journal_paper_doi               10.1107/S0108768193002575
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C Ca O3'
_chemical_formula_weight         100.09
_chemical_name_mineral           calcite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   4.991(2)
_cell_length_b                   4.991(2)
_cell_length_c                   17.062(2)
_cell_volume                     368.1(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.134
_exptl_crystal_density_diffrn    2.709
_exptl_crystal_F_000             300
_cod_data_source_file            as0621.cif
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_database_code               2100992
Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes
Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T.; Acta Crystallographica Section B 49 (1993) 704–708; doi:10.1107/S0108768192013612

data_2100993
_publ_section_title
;
 Geometry of three-membered rings in triangulanes: an X-ray structural
 study and additivity scheme for carbon--carbon bond lengths in
 triangulanes
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              704
_journal_page_last               708
_journal_paper_doi               10.1107/S0108768192013612
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C11 H12 Cl2'
_chemical_formula_weight         215.1
_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                94.49(2)
_cell_angle_beta                 107.42(2)
_cell_angle_gamma                103.12(2)
_cell_formula_units_Z            2
_cell_length_a                   6.729(2)
_cell_length_b                   9.176(2)
_cell_length_c                   9.490(3)
_cell_volume                     537.7(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.556
_exptl_crystal_density_diffrn    1.33
_exptl_crystal_F_000             224
_cod_data_source_file            cr0431.cif
_cod_data_source_block           cr0431a
_cod_original_cell_volume        537.7(6)
_cod_database_code               2100993
Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes
Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T.; Acta Crystallographica Section B 49 (1993) 704–708; doi:10.1107/S0108768192013612

data_2100994
_publ_section_title
;
 Geometry of three-membered rings in triangulanes: an X-ray structural
 study and additivity scheme for carbon--carbon bond lengths in
 triangulanes
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              704
_journal_page_last               708
_journal_paper_doi               10.1107/S0108768192013612
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C13 H14 Br2'
_chemical_formula_weight         330.1
_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                111.69(2)
_cell_angle_beta                 93.81(6)
_cell_angle_gamma                100.23(5)
_cell_formula_units_Z            2
_cell_length_a                   7.433(5)
_cell_length_b                   9.508(6)
_cell_length_c                   10.120(9)
_cell_volume                     647.1(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.17
_exptl_crystal_density_diffrn    1.69
_exptl_crystal_F_000             324
_cod_data_source_file            cr0431.cif
_cod_data_source_block           cr0431b
_cod_original_cell_volume        647.1(8)
_cod_database_code               2100994
Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^})
Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F.; Acta Crystallographica Section B 49 (1993) 680–685; doi:10.1107/S0108768193001466

data_2100995
_publ_section_title
;
 Structure of
 <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> =
 Ir and Rh): the pyramidal geometry of the tricyanomethanide anion
 (C~4~N~3~^{-^})
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              680
_journal_page_last               685
_journal_paper_doi               10.1107/S0108768193001466
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C41 H30 Ir1 N3 O1,1.5(C6 H6)'
_chemical_formula_sum            'C50 H39 Ir N3 O P2'
_chemical_formula_weight         952.04
_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                91.130(10)
_cell_angle_beta                 99.45(2)
_cell_angle_gamma                114.87(2)
_cell_formula_units_Z            2
_cell_length_a                   11.549(3)
_cell_length_b                   12.528(2)
_cell_length_c                   16.931(2)
_cell_volume                     2181.5(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.16
_exptl_crystal_density_diffrn    1.449
_cod_data_source_file            cr0435.cif
_cod_data_source_block           cr0435a
_cod_original_cell_volume        2181.5(7)
_cod_original_formula_sum        'C50 H39 Ir1 N3 O1 P2'
_cod_database_code               2100995
Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^})
Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F.; Acta Crystallographica Section B 49 (1993) 680–685; doi:10.1107/S0108768193001466

data_2100996
_publ_section_title
;
 Structure of
 <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> =
 Ir and Rh): the pyramidal geometry of the tricyanomethanide anion
 (C~4~N~3~^{-^})
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              680
_journal_page_last               685
_journal_paper_doi               10.1107/S0108768193001466
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C41 H30 Ir1 N3 O1 P2,1.5(C6 H6)'
_chemical_formula_sum            'C50 H39 Ir N3 O P2'
_chemical_formula_weight         952.04
_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                91.61(2)
_cell_angle_beta                 99.60(3)
_cell_angle_gamma                114.48(3)
_cell_formula_units_Z            2
_cell_length_a                   11.330(4)
_cell_length_b                   12.337(4)
_cell_length_c                   16.908(4)
_cell_volume                     2108.3(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.27
_exptl_crystal_density_diffrn    1.500
_cod_data_source_file            cr0435.cif
_cod_data_source_block           cr0435b
_cod_original_cell_volume        2108.4(12)
_cod_original_formula_sum        'C50 H39 Ir1 N3 O1 P2'
_cod_database_code               2100996
Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^})
Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F.; Acta Crystallographica Section B 49 (1993) 680–685; doi:10.1107/S0108768193001466

data_2100997
_publ_section_title
;
 Structure of
 <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> =
 Ir and Rh): the pyramidal geometry of the tricyanomethanide anion
 (C~4~N~3~^{-^})
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              680
_journal_page_last               685
_journal_paper_doi               10.1107/S0108768193001466
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C41 H30 N3 O1 P2 Rh1,1.5(C6 H6)'
_chemical_formula_sum            'C50 H39 N3 O P2 Rh'
_chemical_formula_weight         862.74
_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                102.21(2)
_cell_angle_beta                 104.61(2)
_cell_angle_gamma                94.92(3)
_cell_formula_units_Z            2
_cell_length_a                   11.759(3)
_cell_length_b                   11.779(5)
_cell_length_c                   16.352(3)
_cell_volume                     2118.8(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.51
_exptl_crystal_density_diffrn    1.352
_cod_data_source_file            cr0435.cif
_cod_data_source_block           cr0435c
_cod_original_cell_volume        2119.(2)
_cod_original_formula_sum        'C50 H39 N3 O1 P2 Rh1'
_cod_database_code               2100997
Solid-state and solution conformations of isotiazofurin: crystallographic, computational and ^1^H NMR studies
Li, H.; Kennedy, S. D.; Goldstein, B. M.; Acta Crystallographica Section B 49 (1993) 729–738; doi:10.1107/S0108768193001053

data_2100998
_publ_section_title
;
 Solid-state and solution conformations of isotiazofurin:
 crystallographic, computational and ^1^H NMR studies
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              729
_journal_page_last               738
_journal_paper_doi               10.1107/S0108768193001053
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C9 H12 N2 O5 S'
_chemical_formula_weight         260.3
_space_group_IT_number           19
_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                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.7330(10)
_cell_length_b                   6.8310(10)
_cell_length_c                   24.486(2)
_cell_volume                     1126.2(3)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_crystal_density_diffrn    1.63
_cod_data_source_file            gr0211.cif
_cod_data_source_block           gr0211a
_cod_original_cell_volume        1059.3
_cod_database_code               2100998
Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane)
Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M.; Acta Crystallographica Section B 49 (1993) 773–779; doi:10.1107/S0108768193001910

data_2100999
_publ_section_title
;
 Conformational studies on [16]aneS~4~. Structures of \a- and
 \b-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              773
_journal_page_last               779
_journal_paper_doi               10.1107/S0108768193001910
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H24 S4'
_chemical_formula_weight         296.56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2b'
_symmetry_space_group_name_H-M   'P b c 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   17.7366(17)
_cell_length_b                   9.8219(7)
_cell_length_c                   9.0558(11)
_cell_volume                     1577.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.556
_exptl_crystal_density_diffrn    1.248
_cod_data_source_file            ha0116.cif
_cod_data_source_block           ha0116a
_cod_original_cell_volume        1577.6
_cod_database_code               2100999