LMucko/crystallography-open-database huggingface dataset:
Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients
Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro; Crystal Growth & Design 11 (2011) 5621–; doi:10.1021/cg201177p

data_4501375
_publ_section_title
;
 Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect
 in the Solid Formulation of Active Pharmaceutical Ingredients
;
_journal_issue                   12
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5621
_journal_paper_doi               10.1021/cg201177p
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C12 Ca Cl2 N4 O6'
_chemical_formula_weight         407.14
_chemical_name_systematic
; 
piracetam2 CaCl2 (H2O)2
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 108.0589(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   8.89548(8)
_cell_length_b                   9.60922(13)
_cell_length_c                   11.92740(12)
_cell_volume                     969.314(19)
_pd_block_id                     2011-02-24T13:01|PIACET_phase1|pain||
_pd_phase_name                   'from C:/gsas/PiacetGSAS/SrCl2pir_mod.cif'
_cod_data_source_file            cg201177p_si_001.cif
_cod_data_source_block           piracetam2CaCl2(H2O)2_phase_1
_cod_original_cell_volume        969.313(21)
_cod_database_code               4501375
Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form
Braun, Doris E.; Ardid-Candel, Miguel; D’Oria, Emiliana; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Jones, Alan G.; Price, Sarah L.; Crystal Growth & Design 11 (2011) 5659–; doi:10.1021/cg201203u

data_4501397
_publ_section_title
;
 Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic
 Comparison with the Enantiopure Form
;
_journal_issue                   12
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5659
_journal_paper_doi               10.1021/cg201203u
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C14 H14 O3'
_chemical_formula_sum            'C14 H14 O3'
_chemical_formula_weight         230.25
_chemical_name_common
;            
naproxen
;
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.8301(13)
_cell_length_b                   15.4939(4)
_cell_length_c                   5.9465(2)
_cell_volume                     2379.84(16)
_diffrn_ambient_temperature      298
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_preparation
;
to be added
the powder produced was loaded in a 1.0 mm borosilicate glass capillary,
mounted on Bruker AXS D8 X-ray powder diffractometer equipped with 
primary monochromator (CuKa1, l = 1.54056A) and a 
Lynxeye position sensitive detector. Collection was made at room temperature.   
;
_pd_proc_ls_prof_R_factor        0.040
_pd_proc_ls_prof_wR_expected     0.019
_pd_proc_ls_prof_wR_factor       0.045
_refine_ls_goodness_of_fit_all   2.344
_cod_data_source_file            cg201203u_si_001.cif
_cod_data_source_block           naproxen_powder_structure
_cod_original_cell_volume        2379.85(16)
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               4501397
Structure Determination from Powder X-ray Diffraction Data of a New Polymorph of a High-Density Organic Hydrate Material, with an Assessment of Hydrogen-Bond Disorder by Rietveld Refinement
Lim, Gin Keat; Fujii, Kotaro; Harris, Kenneth D. M.; Apperley, David C.; Crystal Growth & Design 11 (2011) 5192–; doi:10.1021/cg201230k

data_4501412
_publ_section_title
;
 Structure Determination from Powder X-ray Diffraction Data of a New
 Polymorph of a High-Density Organic Hydrate Material, with an Assessment
 of Hydrogen-Bond Disorder by Rietveld Refinement
;
_journal_issue                   12
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5192
_journal_paper_doi               10.1021/cg201230k
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C3 O7'
_chemical_formula_weight         148.03
_chemical_name_systematic        ' ?'
_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                107.1065(10)
_cell_angle_beta                 108.3507(9)
_cell_angle_gamma                85.6751(9)
_cell_formula_units_Z            4
_cell_length_a                   8.89282(13)
_cell_length_b                   9.74543(16)
_cell_length_c                   6.85130(10)
_cell_volume                     538.540(15)
_pd_block_id                     2011-07-04T10:41|CHHK_phase1|y||
_pd_phase_name                   CHHK
_cod_data_source_file            cg201230k_si_001.cif
_cod_data_source_block           CHHK_phase_1
_cod_original_cell_volume        538.540(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4501412
Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films
Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul; Chemistry of Materials 23 (2011) 1471–; doi:10.1021/cm1030393

data_4000727
_publ_section_title
;
 Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and
 Zinc Cadmium Sulfide Thin Films
;
_journal_issue                   6
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1471
_journal_paper_doi               10.1021/cm1030393
_journal_volume                  23
_journal_year                    2011
_chemical_formula_sum            'C28 H56 N6 O2 S2 Zn'
_chemical_formula_weight         638.280
_space_group_IT_number           4
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2009-09-23
_audit_creation_method           SHELXL-97
_audit_update_record             2009-09-23
_cell_angle_alpha                90.000
_cell_angle_beta                 104.163(2)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   11.6199(13)
_cell_length_b                   13.3970(15)
_cell_length_c                   11.6558(13)
_cell_volume                     1759.3(3)
_refine_ls_R_factor_all          0.073
_cod_data_source_file            cm1030393_si_004.cif
_cod_data_source_block           s2986m
_cod_depositor_comments
'Adding full bibliography for 4000725--4000727.cif.'
_cod_original_sg_symbol_Hall     P_2yb
_cod_database_code               4000727
Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9
Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe; Chemistry of Materials 23 (2011) 1288–; doi:10.1021/cm103255r

data_4000731
_publ_section_title
;
 Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in
 Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction
 Study of \b-La1.7Bi0.3Mo2O9
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1288
_journal_paper_doi               10.1021/cm103255r
_journal_volume                  23
_journal_year                    2011
_chemical_formula_analytical     La1.7Bi0.3Mo2O9
_chemical_formula_structural     La1.7Bi0.3Mo2O9
_chemical_formula_sum            'Bi0.3 La1.7 Mo2 O9.002'
_chemical_formula_weight         634.740
_chemical_formula_weight_meas    634.711
_chemical_name_common
;
LAMOX
;
_chemical_name_structure_type
;
beta-La2Mo2O9
;
_space_group_IT_number           198
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_date             02-04-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             02-04-25
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.1827(1)
_cell_length_b                   7.1827(1)
_cell_length_c                   7.1827(1)
_cell_volume                     370.564(9)
_cod_data_source_file            cm103255r_si_002.cif
_cod_data_source_block           La1.7Bi0.3Mo2O9-RT
_cod_original_sg_symbol_Hall     P_2ac_2ab_3
_cod_original_formula_sum        'La1.7 Bi0.3 Mo2 O9.002'
_cod_database_code               4000731
Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9
Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe; Chemistry of Materials 23 (2011) 1288–; doi:10.1021/cm103255r

data_4000732
_publ_section_title
;
 Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in
 Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction
 Study of \b-La1.7Bi0.3Mo2O9
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1288
_journal_paper_doi               10.1021/cm103255r
_journal_volume                  23
_journal_year                    2011
_chemical_formula_analytical     La1.7Bi0.3Mo2O9
_chemical_formula_structural     La1.7Bi0.3Mo2O9
_chemical_formula_sum            'Bi0.3 La1.7 Mo2 O9.002'
_chemical_formula_weight         634.740
_chemical_formula_weight_meas    634.711
_chemical_name_common
;
LAMOX
;
_chemical_name_structure_type
;
beta-La2Mo2O9
;
_space_group_IT_number           198
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_date             02-04-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             02-04-25
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.1907(1)
_cell_length_b                   7.1907(1)
_cell_length_c                   7.1907(1)
_cell_volume                     371.804(9)
_cod_data_source_file            cm103255r_si_002.cif
_cod_data_source_block           La1.7Bi0.3Mo2O9-373K
_cod_original_sg_symbol_Hall     P_2ac_2ab_3
_cod_original_formula_sum        'La1.7 Bi0.3 Mo2 O9.002'
_cod_database_code               4000732
Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9
Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe; Chemistry of Materials 23 (2011) 1288–; doi:10.1021/cm103255r

data_4000733
_publ_section_title
;
 Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in
 Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction
 Study of \b-La1.7Bi0.3Mo2O9
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1288
_journal_paper_doi               10.1021/cm103255r
_journal_volume                  23
_journal_year                    2011
_chemical_formula_analytical     La1.7Bi0.3Mo2O9
_chemical_formula_structural     La1.7Bi0.3Mo2O9
_chemical_formula_sum            'Bi0.3 La1.7 Mo2 O9.002'
_chemical_formula_weight         634.740
_chemical_formula_weight_meas    634.711
_chemical_name_common
;
LAMOX
;
_chemical_name_structure_type
;
beta-La2Mo2O9
;
_space_group_IT_number           198
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_date             02-04-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             02-04-25
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.2001(1)
_cell_length_b                   7.2001(1)
_cell_length_c                   7.2001(1)
_cell_volume                     373.264(9)
_cod_data_source_file            cm103255r_si_002.cif
_cod_data_source_block           La1.7Bi0.3Mo2O9-473K
_cod_original_sg_symbol_Hall     P_2ac_2ab_3
_cod_original_formula_sum        'La1.7 Bi0.3 Mo2 O9.002'
_cod_database_code               4000733
Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9
Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe; Chemistry of Materials 23 (2011) 1288–; doi:10.1021/cm103255r

data_4000734
_publ_section_title
;
 Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in
 Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction
 Study of \b-La1.7Bi0.3Mo2O9
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1288
_journal_paper_doi               10.1021/cm103255r
_journal_volume                  23
_journal_year                    2011
_chemical_formula_analytical     La1.7Bi0.3Mo2O9
_chemical_formula_structural     La1.7Bi0.3Mo2O9
_chemical_formula_sum            'Bi0.3 La1.7 Mo2 O9.002'
_chemical_formula_weight         634.740
_chemical_formula_weight_meas    634.711
_chemical_name_common
;
LAMOX
;
_chemical_name_structure_type
;
beta-La2Mo2O9
;
_space_group_IT_number           198
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_date             02-04-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             02-04-25
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.2109(1)
_cell_length_b                   7.2109(1)
_cell_length_c                   7.2109(1)
_cell_volume                     374.946(9)
_cod_data_source_file            cm103255r_si_002.cif
_cod_data_source_block           La1.7Bi0.3Mo2O9-573K
_cod_original_sg_symbol_Hall     P_2ac_2ab_3
_cod_original_formula_sum        'La1.7 Bi0.3 Mo2 O9.002'
_cod_database_code               4000734
Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9
Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe; Chemistry of Materials 23 (2011) 1288–; doi:10.1021/cm103255r

data_4000735
_publ_section_title
;
 Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in
 Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction
 Study of \b-La1.7Bi0.3Mo2O9
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1288
_journal_paper_doi               10.1021/cm103255r
_journal_volume                  23
_journal_year                    2011
_chemical_formula_analytical     La1.7Bi0.3Mo2O9
_chemical_formula_structural     La1.7Bi0.3Mo2O9
_chemical_formula_sum            'Bi0.3 La1.7 Mo2 O9.002'
_chemical_formula_weight         634.740
_chemical_formula_weight_meas    634.711
_chemical_name_common
;
LAMOX
;
_chemical_name_structure_type
;
beta-La2Mo2O9
;
_space_group_IT_number           198
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_date             02-04-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             02-04-25
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.2216(2)
_cell_length_b                   7.2216(2)
_cell_length_c                   7.2216(2)
_cell_volume                     376.617(18)
_cod_data_source_file            cm103255r_si_002.cif
_cod_data_source_block           La1.7Bi0.3Mo2O9-673K
_cod_original_sg_symbol_Hall     P_2ac_2ab_3
_cod_original_formula_sum        'La1.7 Bi0.3 Mo2 O9.002'
_cod_database_code               4000735
Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9
Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe; Chemistry of Materials 23 (2011) 1288–; doi:10.1021/cm103255r

data_4000736
_publ_section_title
;
 Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in
 Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction
 Study of \b-La1.7Bi0.3Mo2O9
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1288
_journal_paper_doi               10.1021/cm103255r
_journal_volume                  23
_journal_year                    2011
_chemical_formula_analytical     La1.7Bi0.3Mo2O9
_chemical_formula_structural     La1.7Bi0.3Mo2O9
_chemical_formula_sum            'Bi0.3 La1.7 Mo2 O8.996'
_chemical_formula_weight         634.644
_chemical_formula_weight_meas    634.711
_chemical_name_common
;
LAMOX
;
_chemical_name_structure_type
;
beta-La2Mo2O9
;
_space_group_IT_number           198
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_date             02-04-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             02-04-25
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.2341(2)
_cell_length_b                   7.2341(2)
_cell_length_c                   7.2341(2)
_cell_volume                     378.576(18)
_cod_data_source_file            cm103255r_si_002.cif
_cod_data_source_block           La1.7Bi0.3Mo2O9-773K
_cod_original_sg_symbol_Hall     P_2ac_2ab_3
_cod_original_formula_sum        'La1.7 Bi0.3 Mo2 O8.996'
_cod_database_code               4000736
Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9
Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe; Chemistry of Materials 23 (2011) 1288–; doi:10.1021/cm103255r

data_4000737
_publ_section_title
;
 Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in
 Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction
 Study of \b-La1.7Bi0.3Mo2O9
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1288
_journal_paper_doi               10.1021/cm103255r
_journal_volume                  23
_journal_year                    2011
_chemical_formula_analytical     La1.7Bi0.3Mo2O9
_chemical_formula_structural     La1.7Bi0.3Mo2O9
_chemical_formula_sum            'Bi0.3 La1.7 Mo2 O9.002'
_chemical_formula_weight         634.740
_chemical_formula_weight_meas    634.711
_chemical_name_common
;
LAMOX
;
_chemical_name_structure_type
;
beta-La2Mo2O9
;
_space_group_IT_number           198
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_date             02-04-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             02-04-25
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.2479(2)
_cell_length_b                   7.2479(2)
_cell_length_c                   7.2479(2)
_cell_volume                     380.747(18)
_cod_data_source_file            cm103255r_si_002.cif
_cod_data_source_block           La1.7Bi0.3Mo2O9-873K
_cod_original_sg_symbol_Hall     P_2ac_2ab_3
_cod_original_formula_sum        'La1.7 Bi0.3 Mo2 O9.002'
_cod_database_code               4000737
Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9
Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe; Chemistry of Materials 23 (2011) 1288–; doi:10.1021/cm103255r

data_4000738
_publ_section_title
;
 Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in
 Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction
 Study of \b-La1.7Bi0.3Mo2O9
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1288
_journal_paper_doi               10.1021/cm103255r
_journal_volume                  23
_journal_year                    2011
_chemical_formula_analytical     La1.7Bi0.3Mo2O9
_chemical_formula_structural     La1.7Bi0.3Mo2O9
_chemical_formula_sum            'Bi0.3 La1.7 Mo2 O8.996'
_chemical_formula_weight         634.644
_chemical_formula_weight_meas    634.711
_chemical_name_common
;
LAMOX
;
_chemical_name_structure_type
;
beta-La2Mo2O9
;
_space_group_IT_number           198
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_date             02-04-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             02-04-25
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.2611(2)
_cell_length_b                   7.2611(2)
_cell_length_c                   7.2611(2)
_cell_volume                     382.831(18)
_cod_data_source_file            cm103255r_si_002.cif
_cod_data_source_block           La1.7Bi0.3Mo2O9-973K
_cod_original_sg_symbol_Hall     P_2ac_2ab_3
_cod_original_formula_sum        'La1.7 Bi0.3 Mo2 O8.996'
_cod_database_code               4000738