LMucko/crystallography-open-database huggingface dataset:
Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.
Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.; Inorganic chemistry  (2014) 141110153840008–; doi:10.1021/ic502183t

data_4341653
_publ_section_title
;
 Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by
 Low-Temperature Fluorination.
;
_publ_section_keywords
;
BiFeO3; fluorination; tetragonal distortion; magnetic properties; magnetic structure
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141110153840008
_journal_paper_doi               10.1021/ic502183t
_journal_year                    2014
_chemical_formula_iupac          'Ba0.3 Bi0.7 Fe1 O2.7 F0.3'
_chemical_formula_sum            'Ba0.3 Bi0.7 F0.3 Fe O2.7'
_chemical_formula_weight         292.23
_chemical_name_mineral           'bismuth barium iron oxide fluoride'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_audit_update_record
;
2014-10-20 # Formatted by publCIF

;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.96243(7)
_cell_length_b                   3.96243(7)
_cell_length_c                   4.14282(12)
_cell_measurement_temperature    298
_cell_measurement_theta_max      65
_cell_measurement_theta_min      2.5
_cell_volume                     65.046(2)
_diffrn_ambient_temperature      298
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54176
_cod_data_source_file            ic502183t_si_005.cif
_cod_data_source_block           Bi0.7Ba0.3FeO2.7F0.3
_cod_original_cell_volume        65.046(3)
_cod_original_sg_symbol_H-M      P4mm
_cod_original_formula_sum        'Ba0.3 Bi0.7 F0.3 Fe1 O2.7'
_cod_database_code               4341653
Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.
Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.; Inorganic chemistry  (2014) 141110153840008–; doi:10.1021/ic502183t

data_4341654
_publ_section_title
;
 Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by
 Low-Temperature Fluorination.
;
_publ_section_keywords
;
BiFeO3; fluorination; tetragonal distortion; magnetic properties; magnetic structure
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141110153840008
_journal_paper_doi               10.1021/ic502183t
_journal_year                    2014
_chemical_formula_iupac          'Ba0.2 Bi0.8 Fe1 O2.8 F0.2'
_chemical_formula_sum            'Ba0.2 Bi0.8 F0.2 Fe O2.8'
_chemical_formula_weight         299.09
_chemical_name_mineral           'bismuth barium iron oxide fluoride'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_audit_update_record
;
2014-10-20 # Formatted by publCIF

;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9118(2)
_cell_length_b                   3.9118(2)
_cell_length_c                   4.2589(7)
_cell_measurement_temperature    298
_cell_measurement_theta_max      65
_cell_measurement_theta_min      2.5
_cell_volume                     65.170(12)
_diffrn_ambient_temperature      298
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54176
_cod_data_source_file            ic502183t_si_003.cif
_cod_data_source_block           Bi0.8Ba0.2FeO2.8F0.2
_cod_original_cell_volume        65.170(13)
_cod_original_sg_symbol_H-M      P4mm
_cod_original_formula_sum        'Ba0.2 Bi0.8 F0.2 Fe1 O2.8'
_cod_database_code               4341654
Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.
Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.; Inorganic chemistry  (2014) 141110153840008–; doi:10.1021/ic502183t

data_4341655
_publ_section_title
;
 Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by
 Low-Temperature Fluorination.
;
_publ_section_keywords
;
BiFeO3; fluorination; tetragonal distortion; magnetic properties; magnetic structure
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141110153840008
_journal_paper_doi               10.1021/ic502183t
_journal_year                    2014
_chemical_formula_iupac          'Ba0.2 Bi0.8 Fe1 O2.9'
_chemical_formula_sum            'Ba0.2 Bi0.8 Fe O2.9'
_chemical_formula_weight         296.09
_chemical_name_mineral           'bismuth barium iron oxide fluoride'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_audit_update_record
;
2014-10-20 # Formatted by publCIF

;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9853(1)
_cell_length_b                   3.9853(1)
_cell_length_c                   3.9865(1)
_cell_measurement_temperature    298
_cell_measurement_theta_max      65
_cell_measurement_theta_min      2.5
_cell_volume                     63.316(3)
_diffrn_ambient_temperature      298
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54176
_cod_data_source_file            ic502183t_si_004.cif
_cod_data_source_block           Bi0.8Ba0.2FeO2.9
_cod_original_cell_volume        63.316(5)
_cod_original_sg_symbol_H-M      P4mm
_cod_original_formula_sum        'Ba0.2 Bi0.8 Fe1 O2.9'
_cod_database_code               4341655
Structural, Spectroscopic, and Magnetic Properties of Eu(3+)-Doped GdVO4 Nanocrystals Synthesized by a Hydrothermal Method.
Szczeszak, Agata; Grzyb, Tomasz; Sniadecki, Zbigniew; Andrzejewska, Nina; Lis, Stefan; Matczak, Michał; Nowaczyk, Grzegorz; Jurga, Stefan; Idzikowski, Bogdan; Inorganic chemistry  (2014) 141110105842004–; doi:10.1021/ic500354t

data_4341676
_publ_section_title
;
 Structural, Spectroscopic, and Magnetic Properties of Eu(3+)-Doped GdVO4
 Nanocrystals Synthesized by a Hydrothermal Method.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141110105842004
_journal_paper_doi               10.1021/ic500354t
_journal_year                    2014
_chemical_formula_analytical     Gd1V1O4
_chemical_formula_moiety         'Gd1 V1 O4'
_chemical_formula_structural     GdVO4
_chemical_formula_sum            'Gd O4 V'
_chemical_formula_weight         272.19
_chemical_name_systematic
;
gadolinium orthovanadate
;
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_audit_creation_date             2014-02-17
_audit_update_record             2014-07-11
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   7.2230
_cell_length_b                   7.2230
_cell_length_c                   6.3736
_cell_measurement_temperature    293
_cell_volume                     332.522
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1.0
_diffrn_radiation_wavelength     1.5406
_cod_data_source_file            ic500354t_si_002.cif
_cod_data_source_block           GdVO4
_cod_original_sg_symbol_Hall     I_4bw_2bw_-1bw
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               4341676
Etude structurale de N2H5Sn3F7
Granier, W.; Vilminot, S.; European Journal of Solid State and Inorganic Chemistry 25 (1988) 53–64; doi:

data_4030176
_publ_section_title
;
 Etude structurale de N2H5Sn3F7
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              53
_journal_page_last               64
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'F7 H5 N2 Sn3'
_chemical_formula_weight         522.1
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   9.569(2)
_cell_length_b                   4.2654(7)
_cell_length_c                   20.954(3)
_cell_volume                     855.3(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.81
_exptl_crystal_density_diffrn    4.055
_exptl_crystal_density_meas      4.04
_refine_ls_number_reflns         784
_refine_ls_R_factor_gt           0.020
_cod_data_source_file            EJSSIC-1988-25-53-64.cif
_cod_data_source_block           N2H5Sn3F7
_cod_original_formula_sum        'H5 F7 N2 Sn3'
_cod_database_code               4030176
NbSe2Br2 : Etude cristallographique des phases "basse temperature" et "haute temperature"
Grenouilleau, P.; Meerschaut, A.; European Journal of Solid State and Inorganic Chemistry 25 (1988) 77–89; doi:

data_4030177
_publ_section_title
;
 NbSe2Br2 : Etude cristallographique des phases "basse temperature" et
 "haute temperature"
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              77
_journal_page_last               89
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'Br2 Nb Se2'
_chemical_formula_weight         410.63
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                67.9(1)
_cell_angle_beta                 111.6(1)
_cell_angle_gamma                119.7(1)
_cell_formula_units_Z            2
_cell_length_a                   6.688(9)
_cell_length_b                   6.720(17)
_cell_length_c                   7.402(8)
_cell_volume                     260.8(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    31.403
_exptl_crystal_density_diffrn    5.229
_refine_ls_number_parameters     47
_refine_ls_number_reflns         830
_refine_ls_R_factor_gt           0.057
_refine_ls_wR_factor_gt          0.070
_cod_data_source_file            EJSSIC-1988-25-77-89-1.cif
_cod_data_source_block           NbSe2Br2-BT
_cod_database_code               4030177
NbSe2Br2 : Etude cristallographique des phases "basse temperature" et "haute temperature"
Grenouilleau, P.; Meerschaut, A.; European Journal of Solid State and Inorganic Chemistry 25 (1988) 77–89; doi:

data_4030178
_publ_section_title
;
 NbSe2Br2 : Etude cristallographique des phases "basse temperature" et
 "haute temperature"
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              77
_journal_page_last               89
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'Br2 Nb Se2'
_chemical_formula_weight         410.63
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.82(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.662(10)
_cell_length_b                   11.677(17)
_cell_length_c                   7.083(12)
_cell_volume                     511.5(15)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    32.023
_exptl_crystal_density_diffrn    5.332
_refine_ls_number_parameters     28
_refine_ls_number_reflns         787
_refine_ls_R_factor_gt           0.020
_refine_ls_wR_factor_gt          0.024
_cod_data_source_file            EJSSIC-1988-25-77-89-2.cif
_cod_data_source_block           NbSe2Br2-HT
_cod_original_cell_volume        512
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4030178
Zum aufbau von Na4[SnO4]
Hoppe, Rudolf; Bernet, Kirsten; European Journal of Solid State and Inorganic Chemistry 25 (1988) 119–134; doi:

data_4030179
_publ_section_title
;
 Zum aufbau von Na4[SnO4]
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              119
_journal_page_last               134
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'Na4 O4 Sn'
_chemical_formula_weight         274.67
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                124.3
_cell_angle_beta                 97.8
_cell_angle_gamma                99.5
_cell_formula_units_Z            2
_cell_length_a                   8.8508
_cell_length_b                   6.6297
_cell_length_c                   5.9055
_cell_volume                     270.984
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.948
_exptl_crystal_density_diffrn    3.366
_exptl_crystal_F_000             252
_refine_ls_number_parameters     82
_refine_ls_number_reflns         2354
_refine_ls_R_factor_gt           0.0508
_refine_ls_wR_factor_gt          0.0314
_cod_data_source_file            EJSSIC-1988-25-119-134.cif
_cod_data_source_block           Na4SnO4
_cod_database_code               4030179
Structure cristalline du sulfate basique de zirconium Zr(OH)2SO4
El Brahimi, M.; Durand, J.; Cot, L.; European Journal of Solid State and Inorganic Chemistry 25 (1988) 185–189; doi:

data_4030180
_publ_section_title
;
 Structure cristalline du sulfate basique de zirconium Zr(OH)2SO4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              185
_journal_page_last               189
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'H2 O6 S Zr'
_chemical_formula_weight         221.30
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   11.09(2)
_cell_length_b                   5.543(1)
_cell_length_c                   6.656(2)
_cell_volume                     409.2(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.125
_exptl_crystal_density_diffrn    3.592
_refine_ls_number_parameters     3.560
_refine_ls_number_reflns         601
_refine_ls_R_factor_gt           0.024
_cod_data_source_file            EJSSIC-1988-25-185-189.cif
_cod_data_source_block           Zr(OH)2SO4
_cod_database_code               4030180
An AIE-active boron-difluoride complex: multi-stimuli-responsive fluorescence and application in data security protection
Xiaolin Zhu; Rui Liu; Yuhao Li; Hai Huang; Qiang Wang; Danfeng Wang; Xuan Zhu; Shishen Liu; Hongjun Zhu; Chem.Commun. 50 (2014) 12951–; doi:10.1039/C4cc05913A

data_7115817
_publ_section_title
;
 An AIE-active boron-difluoride complex: multi-stimuli-responsive
 fluorescence and application in data security protection
;
_journal_name_full               Chem.Commun.
_journal_page_first              12951
_journal_paper_doi               10.1039/C4cc05913A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C42 H26 B F2 N5 S2'
_chemical_formula_weight         713.610
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2014-04-08
_audit_creation_method           SHELXL-97
_audit_update_record             2014-04-08
_cell_angle_alpha                100.053(14)
_cell_angle_beta                 95.703(13)
_cell_angle_gamma                95.546(12)
_cell_formula_units_Z            2
_cell_length_a                   8.2448(13)
_cell_length_b                   13.187(2)
_cell_length_c                   19.061(3)
_cell_volume                     2016.7(6)
_refine_ls_R_factor_all          0.169
_cod_data_source_file            c4cc05913a2.cif
_cod_data_source_block           1-sr
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7115817
The layered compounds AM(V)(PO4)2 (A = K, Rb, Cs and M = Sb, Nb, Ta)
Oyetola, S.; Verbaere, A.; Piffard, Y.; Tournoux, M.; European Journal of Solid State and Inorganic Chemistry 25 (1988) 259–278; doi:

data_4030181
_publ_section_title
;
 The layered compounds AM(V)(PO4)2 (A = K, Rb, Cs and M = Sb, Nb, Ta)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              259
_journal_page_last               278
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'Cs O8 P2 Sb'
_chemical_formula_weight         444.61
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.8246(8)
_cell_length_b                   4.8246(8)
_cell_length_c                   9.226(2)
_cell_volume                     185.98(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.969
_exptl_crystal_density_diffrn    3.970
_exptl_crystal_F_000             200
_refine_ls_number_parameters     21
_refine_ls_number_reflns         258
_refine_ls_R_factor_gt           0.028
_refine_ls_wR_factor_gt          0.032
_cod_data_source_file            EJSSIC-1988-25-259-278.cif
_cod_data_source_block           CsSb(PO4)2
_cod_original_cell_volume        185.98(9)
_cod_database_code               4030181
The crystal structure of Tl5Cu14Se10
Berger, Rolf; Meerschaut, Alain; European Journal of Solid State and Inorganic Chemistry 25 (1988) 279–288; doi:

data_4030182
_publ_section_title
;
 The crystal structure of Tl5Cu14Se10
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              279
_journal_page_last               288
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'Cu14 Se10 Tl5'
_chemical_formula_weight         2701.20
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.089(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.097(2)
_cell_length_b                   3.9582(2)
_cell_length_c                   18.118(2)
_cell_volume                     1165.6(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    62.478
_exptl_crystal_density_diffrn    7.696
_exptl_crystal_F_000             2302
_refine_ls_number_reflns         999
_refine_ls_R_factor_gt           0.047
_refine_ls_wR_factor_gt          0.057
_cod_data_source_file            EJSSIC-1988-25-279-288.cif
_cod_data_source_block           Tl5Cu14Se10
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4030182
Un nouvel exemple de polymorphisme dans un compose de basse dimensionnalite : Nb3Se10Br3
Grenouilleau, Philippe; Guemas, Louisette; Meerschaut, Alain; European Journal of Solid State and Inorganic Chemistry 25 (1988) 341–350; doi:

data_4030183
_publ_section_title
;
 Un nouvel exemple de polymorphisme dans un compose de basse
 dimensionnalite : Nb3Se10Br3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              341
_journal_page_last               350
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'Br3 Nb3 Se10'
_chemical_formula_weight         1308.03
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.77(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.305(2)
_cell_length_b                   19.265(4)
_cell_length_c                   13.648(3)
_cell_volume                     1699.5(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    30.43
_exptl_crystal_density_diffrn    5.112
_exptl_crystal_F_000             2272
_refine_ls_number_parameters     71
_refine_ls_number_reflns         502
_refine_ls_R_factor_gt           0.074
_refine_ls_wR_factor_gt          0.087
_cod_data_source_file            EJSSIC-1988-25-341-350.cif
_cod_data_source_block           Nb3Se10Br3
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4030183