LMucko/crystallography-open-database huggingface dataset:
Rb~3~PO~4~W~12~O~36~ from X-ray powder data
Mao, Shao-Yu; Ren, Xiao-Xia; Liu, Xiao-Xuan; Mi, Jin-Xiao; Acta Crystallographica Section E 62 (2006) i187–i189; doi:10.1107/S1600536806030832

data_2210407
_publ_section_title
;
 Rb~3~PO~4~W~12~O~36~ from X-ray powder data
;
_journal_coeditor_code           WM2037
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i187
_journal_page_last               i189
_journal_paper_doi               10.1107/S1600536806030832
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Rb3 P O4 W12 O36'
_chemical_formula_moiety         'O40 P Rb3 W12'
_chemical_formula_structural     'Rb3 (P O4 W12 O36)'
_chemical_formula_sum            'O40 P Rb3 W12'
_chemical_formula_weight         3133.54
_chemical_name_systematic
;
trirubidium phosphate dodecatungstate
;
_space_group_IT_number           224
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4bc 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   11.66078(13)
_cell_length_b                   11.66078(13)
_cell_length_c                   11.66078(13)
_cell_measurement_temperature    295(2)
_cell_volume                     1585.56(3)
_computing_cell_refinement
;
GSAS (Larson & Von Dreele, 2000) and EXPGUI (Toby, 2001)
;
_computing_data_collection       'X'pert Data Collector (PANalytical, 2003)'
_computing_data_reduction        'X'pert Data Collector'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2004)'
_computing_publication_material  'enCIFer (Allen <i>et al.</i>,  2004)'
_computing_structure_refinement  'GSAS and EXPGUI'
_computing_structure_solution    'coordinates taken from an isotypic compound'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  'PANalytical X'pert PRO'
_diffrn_radiation_monochromator  graphite
_exptl_crystal_density_diffrn    6.563
_exptl_crystal_density_method    'not measured'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.01
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     56
_refine_ls_number_reflns         285
_refine_ls_number_restraints     4
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            wm2037.cif
_cod_data_source_block           I
_cod_original_cell_volume        1585.56(5)
_cod_original_sg_symbol_Hall     '-P 4bc 2bc'
_cod_original_sg_symbol_H-M      'P n -3 m'
_cod_database_code               2210407
Powder diffraction study of Ba(NH~4~)~4~(PO~3~)~6~
Ivashkevich, Ludmila S.; Selevich, Anatoly F.; Lesnikovich, Anatoly I.; Lyakhov, Alexander S.; Acta Crystallographica, Section E 63 (2007) m16–m18; doi:10.1107/S1600536806053864

data_2211966
_publ_section_title
;
Powder diffraction study of Ba(NH~4~)~4~(PO~3~)~6~
;
_journal_coeditor_code           WM2082
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m16
_journal_page_last               m18
_journal_paper_doi               10.1107/S1600536806053864
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Ba (N H4)4 (P O3)6'
_chemical_formula_structural     'Ba (N H4)4 (P O3)6'
_chemical_formula_sum            'Ba H16 N4 O18 P6'
_chemical_formula_weight         683.32
_chemical_name_systematic
;
Barium tetraammonium poly{hexakis[phosphate(V)]}
;
_space_group_IT_number           159
_space_group_name_Hall           'P 3 -2c'
_space_group_name_H-M_alt        'P 3 1 c'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   11.1936(2)
_cell_length_b                   11.1936(2)
_cell_length_c                   8.9393(3)
_cell_measurement_temperature    295
_cell_volume                     970.00(4)
_computing_cell_refinement       'FULLPROF (Rodrigues-Carvajal, 2001)'
_computing_data_collection       'local program'
_computing_data_reduction        'local program'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'FULLPROF and PLATON (Spek, 2003)'
_computing_structure_refinement  FULLPROF
_computing_structure_solution    'EXPO (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Carl Zeiss (Jena) HZG-4A'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  'Ni filtered'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            388
_exptl_absorpt_coefficient_mu    21.537
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             668.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.6
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     49
_refine_ls_number_restraints     10
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            wm2082.cif
_cod_database_code               2211966
Rietveld refinement of the Tutton's salt Rb~2~[Cu(H~2~O)~6~](SO~4~)~2~ from parallel-beam X-ray powder diffraction data
Ballirano, Paolo; Belardi, Girolamo; Acta Crystallographica Section E 63 (2007) i56–i58; doi:10.1107/S1600536807002656

data_2212151
_publ_section_title
;
 Rietveld refinement of the Tutton's salt Rb~2~[Cu(H~2~O)~6~](SO~4~)~2~
 from parallel-beam X-ray powder diffraction data
;
_journal_coeditor_code           FI2025
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i56
_journal_page_last               i58
_journal_paper_doi               10.1107/S1600536807002656
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Rb2 [Cu (H2 O)6] (S O4)2'
_chemical_formula_moiety         'Cu H12 O6, 2(O4 S), 2(Rb)'
_chemical_formula_structural     Rb2(Cu(H2O)6)(SO4)2
_chemical_formula_sum            'Cu H12 O14 Rb2 S2'
_chemical_formula_weight         534.68
_chemical_name_systematic
;
Dirubidium hexaaquacopper bis(sulfate)
;
_space_group_IT_number           14
_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                90.0
_cell_angle_beta                 105.3090(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.25625(5)
_cell_length_b                   12.36268(6)
_cell_length_c                   6.22496(3)
_cell_measurement_temperature    298
_cell_volume                     687.058(6)
_computing_data_collection       'DiffracPlus (Reference???'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'publCIF (Westrip, 2006)'
_computing_structure_refinement  'GSAS (Larson & Von Dreele, 1985)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Bruker AXS D8Advance'
_diffrn_radiation_monochromator  none
_exptl_absorpt_coefficient_mu    14.343
_exptl_absorpt_correction_T_max  0.17170
_exptl_absorpt_correction_T_min  0.07203
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details
;
GSAS Absorption/surface roughness correction: function number 0;
Debye-Scherrer absorption correction;
Term (= MU.r/wave) =      1.1000;
Correction is not refined.
;
_exptl_crystal_density_diffrn    2.585
_exptl_crystal_F_000             518.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.46
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_restraints     31
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     'w = 1/[Y~i~]'
_refine_ls_weighting_scheme      calc
_cod_data_source_file            fi2025.cif
_cod_data_source_block           I
_cod_original_cell_volume        687.058(7)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2212151
X-ray powder diffraction study of LiCrP~2~O~7~
Ivashkevich, Ludmila S.; Selevich, Kirill A.; Lesnikovich, Anatoly I.; Selevich, Anatoly F.; Acta Crystallographica, Section E 63 (2007) m70–m72; doi:10.1107/S1600536807005752

data_2212723
_publ_section_title
;
X-ray powder diffraction study of LiCrP~2~O~7~
;
_journal_coeditor_code           WM2094
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m70
_journal_page_last               m72
_journal_paper_doi               10.1107/S1600536807005752
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Li Cr P2 O7'
_chemical_formula_moiety         'Cr O7 P2 , Li'
_chemical_formula_structural     'Li Cr P2 O7'
_chemical_formula_sum            'Cr Li O7 P2'
_chemical_formula_weight         232.88
_chemical_name_systematic
;
Lithium chromium(III) diphosphate(V)
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 109.003(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   6.9019(10)
_cell_length_b                   7.9919(11)
_cell_length_c                   4.7807(7)
_cell_measurement_reflns_used    307
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      50.0
_cell_measurement_theta_min      6.0
_cell_volume                     249.32(6)
_computing_cell_refinement       'FULLPROF (Rodr\'iguez-Carvajal, 2001)'
_computing_data_collection       'local program'
_computing_data_reduction        'local program'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'FULLPROF and PLATON (Spek, 2003)'
_computing_structure_refinement  FULLPROF
_computing_structure_solution
;
coordinates taken from an isotypic compound (Ivashkevich <i>et al.</i>,
2006)
;
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  'Carl Zeiss HZG-4A'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            307
_exptl_absorpt_coefficient_mu    25.022
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    3.102
_exptl_crystal_density_method    'Not measured'
_refine_ls_goodness_of_fit_all   0.35
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     51
_refine_ls_number_restraints     12
_refine_ls_shift/su_max          0.02
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     'w = 1/\s(Y~obs~)'
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            wm2094.cif
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2212723
1-Methyl-2-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridinium perchlorate: a powder study
Rybakov, Victor B.; Babaev, Eugene V.; Sonneveld, Eduard J.; Zhukov, Sergei G.; Chernyshev, Vladimir V.; Acta Crystallographica Section E 63 (2007) o1861–o1863; doi:10.1107/S1600536807012354

data_2212958
_publ_section_title
;
 1-Methyl-2-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridinium perchlorate:
 a powder study
;
_journal_coeditor_code           LH2329
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1861
_journal_page_last               o1863
_journal_paper_doi               10.1107/S1600536807012354
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C14 H12 N3 O2 + , Cl O4 -'
_chemical_formula_moiety         'C14 H12 N3 O2 + , Cl O4 -'
_chemical_formula_sum            'C14 H12 Cl N3 O6'
_chemical_formula_weight         353.72
_chemical_melting_point          472
_chemical_name_systematic
;
1-Methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridinium perchlorate
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   31.393(18)
_cell_length_b                   25.527(17)
_cell_length_c                   7.800(5)
_cell_measurement_temperature    295(2)
_cell_volume                     6251(7)
_computing_cell_refinement       'Local program'
_computing_data_collection
'Johannson LS18 linescanner data collection program (Reference?)'
_computing_data_reduction        'Local program'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'MRIA and SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  MRIA
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  'Enraf--Nonius Guinier Johannson camera FR 552'
_diffrn_radiation_monochromator  quartz
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.54059
_exptl_absorpt_coefficient_mu    2.521
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2912
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.49
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    36
_refine_ls_number_parameters     156
_refine_ls_number_restraints     220
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            lh2329.cif
_cod_data_source_block           II
_cod_database_code               2212958
Incorporation of vanadium(V) into the rutile-type phase of GeO~2~: the solid solution Ge~0.74~V~0.21~□~0.05~O~2~
I. Rosales; E. A. Juarez-Arellano; C. R. Magaña; L. Bucio; E. Orozco; Acta Crystallographica, Section E 63 (2007) i99–i101; doi:10.1107/S1600536807010276

data_2213049
_publ_section_title
;
Incorporation of vanadium(V) into the rutile-type phase of GeO~2~: the solid
solution Ge~0.74~V~0.21~\\square~0.05~O~2~
;
_journal_coeditor_code           WM2097
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i99
_journal_page_last               i101
_journal_paper_doi               10.1107/S1600536807010276
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_iupac          'Ge0.74 V0.21 O2'
_chemical_formula_moiety         'Ge0.74 O2 V0.21'
_chemical_formula_structural     'Ge0.74 O2 V0.21'
_chemical_formula_sum            'Ge0.74 O2 V0.21'
_chemical_formula_weight         96.43
_chemical_name_mineral           Argutite
_chemical_name_systematic        ' \g-vanadium germanium oxide'
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_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                   4.40010(10)
_cell_length_b                   4.40010(10)
_cell_length_c                   2.86700(10)
_cell_measurement_temperature    295
_cell_volume                     55.510(10)
_computing_cell_refinement       'FULLPROF (Rodr\'iguez-Carvajal, 2001'
_computing_data_collection       'DIFFRAC/AT (Siemens, 1993)'
_computing_data_reduction        FULLPROF
_computing_molecular_graphics    'DIAMOND (Crystal Impact, 2005)'
_computing_publication_material  FULLPROF
_computing_structure_refinement
;
FULLPROF
;
_computing_structure_solution    'coordinates taken from an isotypic compound'
_database_code_amcsd             0010475
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  'Bruker Advance D8'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       2
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            28
_exptl_absorpt_coefficient_mu    38.02
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    5.77
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             88.1
_refine_ls_goodness_of_fit_all   2.0
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     18
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            wm2097.cif
_cod_database_code               2213049
A refinement of the structure of barite from Cow Green mine
Colville, A. A.; Staudhammer, K.; American Mineralogist 52 (1967) 1877–1880; doi:

data_9014007
_publ_section_title
;
 A refinement of the structure of barite
 from Cow Green mine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1877
_journal_page_last               1880
_journal_volume                  52
_journal_year                    1967
_chemical_formula_structural     Ba(SO4)
_chemical_formula_sum            'Ba O4 S'
_chemical_name_mineral           Baryte
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.884
_cell_length_b                   5.458
_cell_length_c                   7.153
_cell_volume                     346.841
_database_code_amcsd             0000164
_exptl_crystal_density_diffrn    4.470
_cod_duplicate_entry             1000037
_cod_depositor_comments
;
 Replaced the _cod_related_entry data item with an entry in the
 COD_RELATED_ENTRY loop. Described the relationship of the entries
 using the _cod_related_entry_description data item.

 Antanas Vaitkus,
 2019-05-21
;
_cod_original_formula_sum        'Ba S O4'
_cod_database_code               9014007
Rietveld refinement of Ba~5~(AsO~4~)~3~Cl from high-resolution synchrotron data
Bell, Anthony M. T.; Henderson, C. Michael B.; Wendlandt, Richard F.; Harrison, Wendy J.; Acta Crystallographica Section E 64 (2008) i63–i64; doi:10.1107/S1600536808026901

data_2219456
_publ_section_title
;
 Rietveld refinement of Ba~5~(AsO~4~)~3~Cl from high-resolution
 synchrotron data
;
_journal_coeditor_code           WM2188
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i63
_journal_page_last               i64
_journal_paper_doi               10.1107/S1600536808026901
_journal_volume                  64
_journal_year                    2008
_chemical_formula_structural     'Ba5 (As O4)3 Cl'
_chemical_formula_sum            'As3 Ba5 Cl O12'
_chemical_formula_weight         1138.846
_chemical_name_common            'Barium As-apatite'
_chemical_name_systematic
;
pentabarium tris(arsenate(V)) chloride
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_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                   10.55700(10)
_cell_length_b                   10.55700(10)
_cell_length_c                   7.73912(8)
_cell_measurement_temperature    298
_cell_volume                     746.980(10)
_computing_cell_refinement       'Celref (Laugier & Bochu, 2003)'
_computing_data_collection       'local software'
_computing_data_reduction        'local software'
_computing_molecular_graphics    'Balls and Sticks (Kang & Ozawa, 2003)'
_computing_publication_material  'publCIF (Westrip, 2008)'
_computing_structure_refinement  'TOPAS (Coelho, 2000)'
_computing_structure_solution    'coordinates taken from a related compound'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'In-house design'
_diffrn_radiation_monochromator  'Si(111) channel-cut crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.998043
_exptl_absorpt_coefficient_mu    56.0740(10)
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    5.06330(10)
_exptl_crystal_density_method    'not measured'
_refine_ls_goodness_of_fit_all   1.227
_refine_ls_number_constraints    3
_refine_ls_number_parameters     21
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0898
_refine_ls_shift/su_max          0.001
_cod_data_source_file            wm2188.cif
_cod_data_source_block           I
_cod_original_formula_sum        'As3 Ba5 Cl1 O12'
_cod_database_code               2219456