LMucko/crystallography-open-database huggingface dataset:
Structure and Physical Properties of Ternary Rare-Earth Cobalt Bismuth Intermetallics (RE)12Co5Bi (RE = Y, Gd, Tb, Dy, Ho, Er, Tm)
Andriy V. Tkachuk; Arthur Mar; Inorganic Chemistry 44 (2005) 2272–2281; doi:10.1021/ic048195p

data_4309032
_publ_section_title
;
Structure and Physical Properties of Ternary Rare-Earth Cobalt Bismuth
Intermetallics (RE)12Co5Bi (RE = Y, Gd, Tb, Dy, Ho, Er, Tm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2272
_journal_page_last               2281
_journal_paper_doi               10.1021/ic048195p
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Co Ho2'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   7.18337
_cell_length_b                   7.18337
_cell_length_c                   7.18337
_cell_volume                     370.668
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           X-ray
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.005000
_pd_meas_2theta_range_max        67.88500
_pd_meas_2theta_range_min        5.00000
_pd_meas_number_of_points        0
_pd_proc_2theta_range_inc        0.005000
_pd_proc_2theta_range_max        67.8888
_pd_proc_2theta_range_min        5.0038
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        5.8231
_pd_proc_ls_prof_wR_expected     3.9483
_pd_proc_ls_prof_wR_factor       8.8031
_pd_proc_wavelength              0.699505
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     27
_refine_ls_number_reflns         54
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.5790
_cod_data_source_file            ic048195psi20041221_012217_2.cif
_cod_data_source_block           HoCo2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        370.66800
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4309032
_pd_proc_ls_prof_cr_factor       15.2110
_pd_proc_ls_prof_cwr_factor      17.0092
_pd_proc_ls_prof_cwr_expected    7.6289
_pd_proc_ls_prof_chi2            4.9710
_pd_proc_ls_prof_echi2           4.9710
Structural, Magnetic, and Electrical Characterization of New Polycrystalline Phases of Nickel- and Platinum-Doped [(DT-TTF)n][Au(mnt)2] (n= 1, 2)
Xavi Ribas; Angelo Sironi; Norberto Masciocchi; Elsa B. Lopes; Manuel Almeida; Jaume Veciana; Concepció Rovira; Inorganic Chemistry 44 (2005) 2358–2366; doi:10.1021/ic048484d

data_4309033
_publ_contact_author_name        'Concepcio  Rovira'
_publ_section_title
;
Structural, Magnetic, and Electrical Characterization of New
Polycrystalline Phases of Nickel- and Platinum-Doped [(DT-TTF)n][Au(mnt)2]
(n= 1, 2)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2358
_journal_page_last               2366
_journal_paper_doi               10.1021/ic048484d
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C18 H4 Au0.75 N4 Pt0.25 S10'
_chemical_name_common            '[DT-TTF][Au0.75Pt0.25(mnt)2]'
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.32059(51)
_cell_length_b                   24.1211(10)
_cell_length_c                   3.8
_cell_volume                     1129.31(7)
_cod_data_source_file            ic048484dsi20041102_040146_1.cif
_cod_data_source_block           coumpound3
_cod_original_cell_volume        1129.308(67)
_cod_database_code               4309033
Structural, Magnetic, and Electrical Characterization of New Polycrystalline Phases of Nickel- and Platinum-Doped [(DT-TTF)n][Au(mnt)2] (n= 1, 2)
Xavi Ribas; Angelo Sironi; Norberto Masciocchi; Elsa B. Lopes; Manuel Almeida; Jaume Veciana; Concepció Rovira; Inorganic Chemistry 44 (2005) 2358–2366; doi:10.1021/ic048484d

data_4309034
_publ_contact_author_name        'Concepcio  Rovira'
_publ_section_title
;
Structural, Magnetic, and Electrical Characterization of New
Polycrystalline Phases of Nickel- and Platinum-Doped [(DT-TTF)n][Au(mnt)2]
(n= 1, 2)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2358
_journal_page_last               2366
_journal_paper_doi               10.1021/ic048484d
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C38 H8 Au0.75 N4 Ni0.25 S16'
_chemical_name_common            '[(DT-TTF)2][Au0.75Ni0.25(mnt)2]'
_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                97.170(12)
_cell_angle_beta                 85.085(10)
_cell_angle_gamma                86.410(13)
_cell_formula_units_Z            1
_cell_length_a                   18.5538(29)
_cell_length_b                   3.81873(42)
_cell_length_c                   12.5547(16)
_cell_volume                     876.9(2)
_cod_data_source_file            ic048484dsi20041102_040146_2.cif
_cod_data_source_block           compound2
_cod_original_cell_volume        876.90(20)
_cod_database_code               4309034
[(O^N^N)PtX] Complexes as a New Class of Light-Emitting Materials for Electrophosphorescent Devices
Chi-Chung Kwok; Hugo M. Y. Ngai; Siu-Chung Chan; Iona H. T. Sham; Chi-Ming Che; Nianyong Zhu; Inorganic Chemistry 44 (2005) 4442–4444; doi:10.1021/ic050365q

data_4309123
_publ_section_title
;
[(O^N^N)PtX] Complexes as a New Class of Light-Emitting Materials for
Electrophosphorescent Devices
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4442
_journal_page_last               4444
_journal_paper_doi               10.1021/ic050365q
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C24.5 H28 Cl2 N2 O Pt'
_chemical_formula_weight         632.480
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_creation_date             05-01-20
_audit_creation_method           'Created with Diamond v2.0'
_audit_update_record             05-01-20
_cell_angle_alpha                90.000
_cell_angle_beta                 98.17(3)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.577(3)
_cell_length_b                   6.9710(14)
_cell_length_c                   23.493(5)
_cell_volume                     2363.0(9)
_refine_ls_R_factor_all          0.044
_cod_data_source_file            ic050365qsi20050310_050003.cif
_cod_data_source_block           mar691
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-15
;
_cod_original_cell_volume        2363.0(8)
_cod_original_formula_sum        'C24.50 H28 Cl2 N2 O Pt'
_cod_database_code               4309123
Tribasic Lead Maleate and Lead Maleate: Synthesis and Structural and Spectroscopic Characterizations
François Bonhomme; Todd M. Alam; Aaron J. Celestian; David R. Tallant; Timothy J. Boyle; Brian R. Cherry; Ralph G. Tissot; Mark A. Rodriguez; John B. Parise; May Nyman; Inorganic Chemistry 44 (2005) 7394–7402; doi:10.1021/ic050611y

data_4309801
_publ_section_title
;
Tribasic Lead Maleate and Lead Maleate: Synthesis and Structural and
Spectroscopic Characterizations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7394
_journal_page_last               7402
_journal_paper_doi               10.1021/ic050611y
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C4 H2 O7 Pb4'
_chemical_formula_weight         3995.421
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_date             04-08-17
_audit_creation_method           'Created with Diamond v2.0'
_audit_update_record             04-08-17
_cell_angle_alpha                90.000
_cell_angle_beta                 114.250
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   11.372(1)
_cell_length_b                   17.2717(10)
_cell_length_c                   5.7028(10)
_cell_volume                     1021.3(2)
_cod_data_source_file            ic050611ysi20050420_112447_2.cif
_cod_data_source_block           TribasicLeabMaleate
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-11
;
_cod_original_formula_sum        'Pb4 O7 C4 H2'
_cod_database_code               4309801
Moisture-Triggered 1,3,5-Triazine-Based CuII Molecular Switch: a Combined X-ray Single-Crystal and Powder Diffraction Study
Hélène Casellas; Patrick Gamez; Jan Reedijk; Ilpo Mutikainen; Urho Turpeinen; Norberto Masciocchi; Simona Galli; Angelo Sironi; Inorganic Chemistry 44 (2005) 7918–7924; doi:10.1021/ic0509231

data_4309868
_publ_section_title
;
Moisture-Triggered 1,3,5-Triazine-Based CuII Molecular Switch: a Combined
X-ray Single-Crystal and Powder Diffraction Study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7918
_journal_page_last               7924
_journal_paper_doi               10.1021/ic0509231
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety
;
[(opytrizediam)Cu3(NO3)5](NO3)(H2O)
;
_chemical_formula_sum            'C48 H40 Cu3 N26 O19'
_chemical_formula_weight         1475.67
_chemical_name_common            'Copper Complex, Hydrated Phase'
_chemical_name_systematic
;
 pentranitrato-opytrizediam-tricopper(ii) nitrate monohydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.1241(28)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.63451(58)
_cell_length_b                   20.83709(82)
_cell_length_c                   19.12837(95)
_cell_volume                     5952.9(5)
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Seifert MZVII'
_diffrn_radiation_monochromator  germanium
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a1
_diffrn_radiation_wavelength     1.5406
_diffrn_reflns_theta_max         37.5
_diffrn_reflns_theta_min         5
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Seifert  X-ray Generator'
_exptl_crystal_density_diffrn    1.646
_cod_data_source_file            ic0509231si20050608_092035_2.cif
_cod_data_source_block           Compound_2
_cod_original_cell_volume        5952.85(45)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4309868
Crystal Structure of Stoichiometric YBa2Fe3O8
Pavel Karen; Emmanuelle Suard; François Fauth; Inorganic Chemistry 44 (2005) 8170–8172; doi:10.1021/ic048746b

data_4309913
_publ_contact_author_address
; Pavel Karen                             
  Department of Chemistry                 
  University of Oslo                      
  POBox 1033 Blindern                     
  N-0315 OSLO, Norway 
;
_publ_contact_author_email       'pavel.karen at kjemi.uio.no'
_publ_contact_author_fax         '+ 4722855441'
_publ_contact_author_phone       '+ 4722855590'
_publ_section_title
;
Crystal Structure of Stoichiometric YBa2Fe3O8
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8170
_journal_page_last               8172
_journal_paper_doi               10.1021/ic048746b
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Ba2 Fe3 O8 Y'
_chemical_formula_weight         659.11
_chemical_name_systematic        ' ?'
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_audit_author_name               'Pavel Karen'
_audit_creation_date             2005-04-23T16:53
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2005-04-23T16:53  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.917916(5)
_cell_length_b                   3.917916
_cell_length_c                   11.824436(22)
_cell_volume                     181.5059(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2005-04-23T16:53|YBFO8_phase1|Pavel_Karen||
_pd_phase_name                   YBa2Fe3O8
_pd_proc_ls_prof_R_factor        0.0271
_pd_proc_ls_prof_wR_factor       0.0417
_refine_ls_goodness_of_fit_all   1.92
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic048746bsi20050425_045928_ph1.cif
_cod_data_source_block           YBFO8_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (419
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (104 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        181.5060(10)
_cod_original_formula_sum        'Ba2 Fe3 O8.00 Y'
_cod_database_code               4309913
_cod_database_fobs_code          4309913
Crystal Structure of Stoichiometric YBa2Fe3O8
Pavel Karen; Emmanuelle Suard; François Fauth; Inorganic Chemistry 44 (2005) 8170–8172; doi:10.1021/ic048746b

data_4309914
_publ_contact_author_address
; Pavel Karen                             
  Department of Chemistry                 
  University of Oslo                      
  POBox 1033 Blindern                     
  N-0315 OSLO, Norway 
;
_publ_contact_author_email       'pavel.karen at kjemi.uio.no'
_publ_contact_author_fax         '+ 4722855441'
_publ_contact_author_phone       '+ 4722855590'
_publ_section_title
;
Crystal Structure of Stoichiometric YBa2Fe3O8
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8170
_journal_page_last               8172
_journal_paper_doi               10.1021/ic048746b
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C0.33 Ba O2.67 Y0.67'
_chemical_formula_weight         243.27
_chemical_name_systematic        ' ?'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_author_name               'Pavel Karen'
_audit_creation_date             2005-04-23T16:53
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2005-04-23T16:53  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.1628(6)
_cell_length_b                   4.1628
_cell_length_c                   4.1628
_cell_volume                     72.137(10)
_computing_structure_refinement  GSAS
_pd_block_id                     2005-04-23T16:53|YBFO8_phase2|Pavel_Karen||
_pd_phase_name                   'cubic perovskite'
_pd_proc_ls_prof_R_factor        0.0271
_pd_proc_ls_prof_wR_factor       0.0417
_refine_ls_goodness_of_fit_all   1.92
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic048746bsi20050425_045928_ph2.cif
_cod_data_source_block           YBFO8_phase_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (406
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (54 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        72.137(32)
_cod_database_code               4309914
_cod_database_fobs_code          4309914
Crystal Structure of Stoichiometric YBa2Fe3O8
Pavel Karen; Emmanuelle Suard; François Fauth; Inorganic Chemistry 44 (2005) 8170–8172; doi:10.1021/ic048746b

data_4309915
_publ_contact_author_address
; Pavel Karen                             
  Department of Chemistry                 
  University of Oslo                      
  POBox 1033 Blindern                     
  N-0315 OSLO, Norway 
;
_publ_contact_author_email       'pavel.karen at kjemi.uio.no'
_publ_contact_author_fax         '+ 4722855441'
_publ_contact_author_phone       '+ 4722855590'
_publ_section_title
;
Crystal Structure of Stoichiometric YBa2Fe3O8
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8170
_journal_page_last               8172
_journal_paper_doi               10.1021/ic048746b
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Ba Fe2 O4'
_chemical_formula_weight         313.03
_chemical_name_systematic        ' ?'
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_audit_author_name               'Pavel Karen'
_audit_creation_date             2005-04-23T16:53
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2005-04-23T16:53  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   8.4538(11)
_cell_length_b                   19.0400(26)
_cell_length_c                   5.3826(8)
_cell_volume                     866.4(2)
_computing_structure_refinement  GSAS
_pd_block_id                     2005-04-23T16:53|YBFO8_phase3|Pavel_Karen||
_pd_phase_name                   BaFe2O4
_pd_proc_ls_prof_R_factor        0.0271
_pd_proc_ls_prof_wR_factor       0.0417
_refine_ls_goodness_of_fit_all   1.92
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic048746bsi20050425_045928_ph3.cif
_cod_data_source_block           YBFO8_phase_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (161
time).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (76 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        866.39(13)
_cod_database_code               4309915
_cod_database_fobs_code          4309915
Crystal Structure of Stoichiometric YBa2Fe3O8
Pavel Karen; Emmanuelle Suard; François Fauth; Inorganic Chemistry 44 (2005) 8170–8172; doi:10.1021/ic048746b

data_4309916
_publ_contact_author_address
; Pavel Karen                             
  Department of Chemistry                 
  University of Oslo                      
  POBox 1033 Blindern                     
  N-0315 OSLO, Norway 
;
_publ_contact_author_email       'pavel.karen at kjemi.uio.no'
_publ_contact_author_fax         '+ 4722855441'
_publ_contact_author_phone       '+ 4722855590'
_publ_section_title
;
Crystal Structure of Stoichiometric YBa2Fe3O8
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8170
_journal_page_last               8172
_journal_paper_doi               10.1021/ic048746b
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            V
_chemical_formula_weight         50.94
_chemical_name_systematic        ' ?'
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_audit_author_name               'Pavel Karen'
_audit_creation_date             2005-04-23T16:53
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2005-04-23T16:53  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   3.0278(6)
_cell_length_b                   3.0278
_cell_length_c                   3.0278
_cell_volume                     27.758(6)
_computing_structure_refinement  GSAS
_pd_block_id                     2005-04-23T16:53|YBFO8_phase5|Pavel_Karen||
_pd_phase_name                   vanadium
_pd_proc_ls_prof_R_factor        0.0271
_pd_proc_ls_prof_wR_factor       0.0417
_refine_ls_goodness_of_fit_all   1.92
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic048746bsi20050425_045928_ph5.cif
_cod_data_source_block           YBFO8_phase_5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (28
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (14 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        27.758(16)
_cod_database_code               4309916
_cod_database_fobs_code          4309916