LMucko/crystallography-open-database huggingface dataset:
Crystal chemistry of mimetite, Pb~10~(AsO~4~)~6~Cl~1.48~O~0.26~, and finnemanite, Pb~10~(AsO~3~)~6~Cl~2~
Baikie, T; Ferraris, C; Klooster, W.T; Madhavi, S; Pramana, S.S; Pring, A; Schmidt, G; White, T.J; Acta Crystallographica Section B 64 (2008) 34–41; doi:10.1107/S0108768107066402

data_2103094
_publ_section_title
;
 Crystal chemistry of mimetite, Pb~10~(AsO~4~)~6~Cl~1.48~O~0.26~, and
 finnemanite, Pb~10~(AsO~3~)~6~Cl~2~
;
_journal_coeditor_code           LM5013
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              34
_journal_page_last               41
_journal_paper_doi               10.1107/S0108768107066402
_journal_volume                  64
_journal_year                    2008
_chemical_formula_sum            'As6 Cl1.48 O24.26 Pb10'
_chemical_formula_weight         2962.160
_space_group_IT_number           176
_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            1
_cell_length_a                   10.2415(3)
_cell_length_b                   10.2415(3)
_cell_length_c                   7.4594(2)
_cell_measurement_reflns_used    255
_cell_measurement_temperature    473
_cell_volume                     677.58(3)
_computing_cell_refinement       'TOPAS (Bruker, 2005)'
_computing_data_collection       'Shimadzu XRD 6000'
_computing_data_reduction        'TOPAS (Bruker, 2005)'
_computing_molecular_graphics
;ATOMS (Shape, 2004),
GFOURIER (Gonzales-Platas, J. & Rodriguez-Carvajal, J. (2006)
;
_computing_structure_refinement  'TOPAS (Bruker, 2005)'
_computing_structure_solution    'TOPAS (Bruker, 2005)'
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  local
_diffrn_radiation_monochromator  'Ge 115'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.8834
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_exptl_absorpt_coefficient_mu    0.0099
_exptl_crystal_density_diffrn    7.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             288.5
_refine_ls_goodness_of_fit_all   0.58
_refine_ls_matrix_type           full
_refine_ls_number_constraints    1
_refine_ls_number_parameters     48
_refine_ls_number_restraints     0
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            lm5013.cif
_cod_data_source_block           As6Cl1.48O24.26Pb10_473K
_cod_original_cell_volume        677.59(3)
_cod_original_formula_sum        As6Cl1.48O24.26Pb10
_cod_database_code               2103094
Use of the Inorganic Crystal Structure Database as a problem solving tool
Kaduk, James A.; Acta Crystallographica, Section B: Structural Science 58 (2002) 370–379; doi:10.1107/S0108768102003476

data_2103096
_publ_section_title
;
 Use of the Inorganic Crystal Structure Database as a problem solving
 tool
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              370
_journal_page_last               379
_journal_paper_doi               10.1107/S0108768102003476
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Cl2 H8 Mg O4'
_chemical_formula_weight         167.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'GSAS neutral atom'
_cell_angle_alpha                90.0
_cell_angle_beta                 111.007(15)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.9001(9)
_cell_length_b                   7.2709(7)
_cell_length_c                   8.4199(7)
_cell_measurement_temperature    298
_cell_volume                     337.20
_cod_data_source_file            an0607.cif
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2103096
Use of the Inorganic Crystal Structure Database as a problem solving tool
Kaduk, James A.; Acta Crystallographica, Section B: Structural Science 58 (2002) 370–379; doi:10.1107/S0108768102003476

data_2103097
_publ_section_title
;
 Use of the Inorganic Crystal Structure Database as a problem solving
 tool
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              370
_journal_page_last               379
_journal_paper_doi               10.1107/S0108768102003476
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C2 H14 Fe2 N2 O11'
_chemical_formula_weight         353.72
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_type_scat_source           'GSAS neutral atom'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.6154(6)
_cell_length_b                   12.0639(10)
_cell_length_c                   6.0263(5)
_cell_measurement_temperature    298
_cell_volume                     480.944
_cod_data_source_file            an0607.cif
_cod_database_code               2103097
Use of the Inorganic Crystal Structure Database as a problem solving tool
Kaduk, James A.; Acta Crystallographica, Section B: Structural Science 58 (2002) 370–379; doi:10.1107/S0108768102003476

data_2103098
_publ_section_title
;
 Use of the Inorganic Crystal Structure Database as a problem solving
 tool
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              370
_journal_page_last               379
_journal_paper_doi               10.1107/S0108768102003476
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Cl2 H4 Mg O2'
_chemical_formula_weight         131.20
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_type_scat_source           'GSAS neutral atom'
_cell_angle_alpha                90.0
_cell_angle_beta                 98.96(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.389(3)
_cell_length_b                   8.550(2)
_cell_length_c                   3.6488(17)
_cell_measurement_temperature    298
_cell_volume                     227.69
_cod_data_source_file            an0607.cif
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2103098
Use of the Inorganic Crystal Structure Database as a problem solving tool
Kaduk, James A.; Acta Crystallographica, Section B: Structural Science 58 (2002) 370–379; doi:10.1107/S0108768102003476

data_2103099
_publ_section_title
;
 Use of the Inorganic Crystal Structure Database as a problem solving
 tool
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              370
_journal_page_last               379
_journal_paper_doi               10.1107/S0108768102003476
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Cl2 H2 Mg O'
_chemical_formula_weight         113.20
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source           'GSAS neutral atom'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.899(7)
_cell_length_b                   3.634(2)
_cell_length_c                   11.398(8)
_cell_measurement_temperature    298
_cell_volume                     368.6
_cod_data_source_file            an0607.cif
_cod_database_code               2103099
Use of the Inorganic Crystal Structure Database as a problem solving tool
Kaduk, James A.; Acta Crystallographica, Section B: Structural Science 58 (2002) 370–379; doi:10.1107/S0108768102003476

data_2103100
_publ_section_title
;
 Use of the Inorganic Crystal Structure Database as a problem solving
 tool
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              370
_journal_page_last               379
_journal_paper_doi               10.1107/S0108768102003476
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Al4 H50 O52 S7'
_chemical_formula_weight         1214.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           'GSAS neutral atom'
_cell_angle_alpha                108.162(2)
_cell_angle_beta                 70.536(3)
_cell_angle_gamma                112.658(2)
_cell_formula_units_Z            1
_cell_length_a                   12.5882(5)
_cell_length_b                   13.0724(5)
_cell_length_c                   7.3353(3)
_cell_measurement_temperature    298
_cell_volume                     1026.68(8)
_cod_data_source_file            an0607.cif
_cod_original_formula_sum        'Al4 H50 S7 O52'
_cod_database_code               2103100
Use of the Inorganic Crystal Structure Database as a problem solving tool
Kaduk, James A.; Acta Crystallographica, Section B: Structural Science 58 (2002) 370–379; doi:10.1107/S0108768102003476

data_2103101
_publ_section_title
;
 Use of the Inorganic Crystal Structure Database as a problem solving
 tool
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              370
_journal_page_last               379
_journal_paper_doi               10.1107/S0108768102003476
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Fe H2 O5 S'
_chemical_formula_weight         169.92
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           'GSAS neutral atom'
_cell_angle_alpha                90.0
_cell_angle_beta                 116.307(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.1157(9)
_cell_length_b                   7.5180(10)
_cell_length_c                   7.5988(11)
_cell_measurement_temperature    298
_cell_volume                     364.40(5)
_cod_data_source_file            an0607.cif
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2103101
Use of the Inorganic Crystal Structure Database as a problem solving tool
Kaduk, James A.; Acta Crystallographica, Section B: Structural Science 58 (2002) 370–379; doi:10.1107/S0108768102003476

data_2103102
_publ_section_title
;
 Use of the Inorganic Crystal Structure Database as a problem solving
 tool
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              370
_journal_page_last               379
_journal_paper_doi               10.1107/S0108768102003476
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Al2 H34 O29 S3'
_chemical_formula_weight         648.14
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           'GSAS neutral atom'
_cell_angle_alpha                89.57
_cell_angle_beta                 97.34
_cell_angle_gamma                91.53
_cell_formula_units_Z            2
_cell_length_a                   7.42
_cell_length_b                   26.97
_cell_length_c                   6.062
_cell_measurement_temperature    298
_cell_volume                     1202.7
_cod_data_source_file            an0607.cif
_cod_database_code               2103102
Reversible dimerization of C~60~ molecules in the crystal structure of the bis(arene)chromium fulleride [Cr(C~7~H~8~)]~2~C~60~
Hönnerscheid, Andreas; Dinnebier, Robert; Jansen, Martin; Acta Crystallographica, Section B: Structural Science 58 (2002) 482–488; doi:10.1107/S0108768102001970

data_2103139
_publ_section_title
;
 Reversible dimerization of C~60~ molecules in the crystal structure of
 the bis(arene)chromium fulleride [Cr(C~7~H~8~)]~2~C~60~
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              482
_journal_page_last               488
_journal_paper_doi               10.1107/S0108768102001970
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C74 H16 Cr'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                91.830(3)
_cell_angle_beta                 116.776(2)
_cell_angle_gamma                119.3326(19)
_cell_length_a                   13.6414(8)
_cell_length_b                   13.8338(7)
_cell_length_c                   13.8548(7)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      235
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7
_refine_ls_goodness_of_fit_all   0.86
_refine_ls_number_parameters     15
_refine_ls_number_restraints     0
_refine_ls_shift/esd_max         0.06
_refine_ls_shift/esd_mean        0.02
_reflns_number_observed          1064
_cod_data_source_file            sn0020.cif
_cod_database_code               2103139
Structure of C~15~-, C~17~- and C~19~-mono-acid β-triacylglycerols
Helmholdt, Robert B.; Peschar, René; Schenk, Henk; Acta Crystallographica Section B 58 (2002) 134–139; doi:10.1107/S0108768101016330

data_2103140
_publ_section_title
;
 Structure of C~15~-, C~17~- and C~19~-mono-acid \b-triacylglycerols
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              134
_journal_page_last               139
_journal_paper_doi               10.1107/S0108768101016330
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C48 H92 O6'
_chemical_formula_weight         765.26
_chemical_name_systematic
;
 \b-1,2,3-tris(pentadecanoyl)glycerol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.3590(10)
_cell_angle_beta                 100.2110(10)
_cell_angle_gamma                121.1250(10)
_cell_formula_units_Z            2
_cell_length_a                   11.89979(8)
_cell_length_b                   46.3879(4)
_cell_length_c                   5.43998(3)
_cell_measurement_temperature    243
_cell_volume                     2448.94(4)
_computing_cell_refinement       MRIA
_computing_data_reduction        MRIA
_computing_molecular_graphics    PLATON
_computing_structure_refinement  MRIA
_computing_structure_solution    MRIA
_diffrn_ambient_temperature      243
_diffrn_measurement_device_type  'ESRF BM16'
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .850047
_exptl_crystal_density_diffrn    1.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   6.0
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     492
_refine_ls_number_restraints     427
_refine_ls_R_factor_all          Inet
_cod_data_source_file            av0044.cif
_cod_data_source_block           C15C15C15
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               2103140
Structure of C~15~-, C~17~- and C~19~-mono-acid β-triacylglycerols
Helmholdt, Robert B.; Peschar, René; Schenk, Henk; Acta Crystallographica Section B 58 (2002) 134–139; doi:10.1107/S0108768101016330

data_2103141
_publ_section_title
;
 Structure of C~15~-, C~17~- and C~19~-mono-acid \b-triacylglycerols
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              134
_journal_page_last               139
_journal_paper_doi               10.1107/S0108768101016330
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C54 H104 O6'
_chemical_formula_weight         849.42
_chemical_name_systematic
;
\b-1,2,3-tris(heptadecanoyl)glycerol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.765(2)
_cell_angle_beta                 100.0950(10)
_cell_angle_gamma                120.577(2)
_cell_formula_units_Z            2
_cell_length_a                   11.86642(18)
_cell_length_b                   51.4495(11)
_cell_length_c                   5.43208(7)
_cell_measurement_temperature    243
_cell_volume                     2725.82(10)
_computing_cell_refinement       MRIA
_computing_data_reduction        MRIA
_computing_molecular_graphics    PLATON
_computing_structure_refinement  MRIA
_computing_structure_solution    MRIA
_diffrn_ambient_temperature      243
_diffrn_measurement_device_type  'ESRF BM16'
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .850047
_exptl_crystal_density_diffrn    1.034
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_all   3.0
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     546
_refine_ls_number_restraints     481
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            av0044.cif
_cod_data_source_block           C17C17C17
_cod_original_cell_volume        2725.82(8)
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               2103141
Structure of C~15~-, C~17~- and C~19~-mono-acid β-triacylglycerols
Helmholdt, Robert B.; Peschar, René; Schenk, Henk; Acta Crystallographica Section B 58 (2002) 134–139; doi:10.1107/S0108768101016330

data_2103142
_publ_section_title
;
 Structure of C~15~-, C~17~- and C~19~-mono-acid \b-triacylglycerols
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              134
_journal_page_last               139
_journal_paper_doi               10.1107/S0108768101016330
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C60 H116 O6'
_chemical_formula_weight         933.58
_chemical_name_systematic
;
 \b-1,2,3-tris(nonadecanoyl)glycerol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.0640(10)
_cell_angle_beta                 100.0200(10)
_cell_angle_gamma                120.0840(10)
_cell_formula_units_Z            2
_cell_length_a                   11.86797(12)
_cell_length_b                   56.5143(9)
_cell_length_c                   5.42795(5)
_cell_measurement_temperature    243
_cell_volume                     3011.82(7)
_computing_cell_refinement       MRIA
_computing_data_reduction        MRIA
_computing_molecular_graphics    MRIA
_computing_structure_refinement  MRIA
_computing_structure_solution    MRIA
_diffrn_ambient_temperature      243
_diffrn_measurement_device_type  'ESRF BM16'
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .850047
_exptl_crystal_density_diffrn    1.029
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.4
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     600
_refine_ls_number_restraints     534
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            av0044.cif
_cod_data_source_block           C19C19C19
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               2103142
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103162
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         '(C42 H70 O35)2 (C13 H26 O2) 19.5(H2 O)'
_chemical_formula_sum            'C97 H205 O91.5'
_chemical_name_systematic
'(?-cyclodextrin)2. [tridecanoic acid].19.5H2O '
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.95
_cell_angle_gamma                90.00
_cell_length_a                   19.363
_cell_length_b                   24.597
_cell_length_c                   15.937
_cell_volume                     7178.963
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_1S
_cod_original_sg_symbol_H-M      ' C2  '
_cod_original_formula_sum        '(C42H70O35)2.(C13H26O2).19.5H2O '
_cod_database_code               2103162
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103163
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         '(C42 H70 O35)2 (C14 H26 O2) 14.9(H2 O)'
_chemical_formula_sum            'C98 H195.8 O86.9'
_chemical_name_systematic
'(?-cyclodextrin)2. [(Z)-tetradec-7-enoic acid]. 14.9H2O.'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.90
_cell_angle_gamma                90.00
_cell_length_a                   19.316
_cell_length_b                   24.564
_cell_length_c                   15.935
_cell_volume                     7153.172
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_2S
_cod_original_sg_symbol_H-M      ' C2  '
_cod_original_formula_sum        ' (C42H70O35)2.(C14H26O2).14.9H2O '
_cod_database_code               2103163