LMucko/crystallography-open-database huggingface dataset:
Isolation of Two-Dimensional 2:1 Cation-Ordered Perovskite Units by Anion Vacancy Ordering in Ba6Na2Nb2P2O17
Xiaojun Kuang; John B. Claridge; Tim Price; David M. Iddles; Matthew J. Rosseinsky; Inorganic Chemistry 47 (2008) 8444–8450; doi:10.1021/ic800788e

data_4305862
_publ_contact_author_name        ' M.J.Rosseinsky'
_publ_section_title
;
Isolation of Two-Dimensional 2:1 Cation-Ordered Perovskite Units by Anion
Vacancy Ordering in Ba6Na2Nb2P2O17
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8444
_journal_page_last               8450
_journal_paper_doi               10.1021/ic800788e
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'Ba3 O8 V2'
_chemical_formula_weight         641.87
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_audit_author_name               'X.Kuang, M.J.Rosseinsky et al'
_audit_creation_date             2007-12-10T14:33
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2007-12-10T14:33  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   5.79067(20)
_cell_length_b                   5.79067
_cell_length_c                   21.3210(13)
_cell_volume                     619.15(4)
_computing_structure_refinement  GSAS
_pd_block_id
2007-12-10T17:18|6L-TEST-SPLITTING_phase2|Ba6Na2Nb2V2O17||
_pd_phase_name                   Ba3V2O8
_pd_proc_ls_prof_R_factor        0.0487
_pd_proc_ls_prof_wR_factor       0.0442
_refine_ls_goodness_of_fit_all   1.54
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          3.30
_refine_ls_shift/su_mean         0.69
_cod_data_source_file            ic800788e_si_002_3.cif
_cod_data_source_block           6L-TEST-SPLITTING_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 (313
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 (66 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4305862
Trinuclear Mo3S7 Clusters Coordinated to Dithiolate or Diselenolate Ligands and Their Use in the Preparation of Magnetic Single Component Molecular Conductors
Rosa Llusar; Sonia Triguero; Victor Polo; Cristian Vicent; Carlos J. Gómez-García; Olivier Jeannin; Marc Fourmigué; Inorganic Chemistry 47 (2008) 9400–9409; doi:10.1021/ic8009546

data_4306025
_publ_section_title
;
Trinuclear Mo3S7 Clusters Coordinated to Dithiolate or Diselenolate Ligands
and Their Use in the Preparation of Magnetic Single Component Molecular
Conductors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9400
_journal_page_last               9409
_journal_paper_doi               10.1021/ic8009546
_journal_volume                  47
_journal_year                    2008
_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                90.00
_cell_angle_beta                 110.0570(10)
_cell_angle_gamma                90.00
_cell_length_a                   16.6096(9)
_cell_length_b                   23.6618(13)
_cell_length_c                   17.7170(10)
_cell_volume                     6540.7(6)
_cod_data_source_file            ic8009546_si_002.cif
_cod_data_source_block           (n-Bu4N)2[Mo3S7(bdt)3]
_cod_original_cell_volume        6540.72
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4306025
Neutron Powder Diffraction, Multinuclear, and Multidimensional NMR Structural Investigation of Pb5Ga3F19
Charlotte Martineau; Franck Fayon; Christophe Legein; Jean-Yves Buzaré; François Goutenoire; Emmanuelle Suard; Inorganic Chemistry 47 (2008) 10895–10905; doi:10.1021/ic801044j

data_4306125
_publ_section_title
;
Neutron Powder Diffraction, Multinuclear, and Multidimensional NMR
Structural Investigation of Pb5Ga3F19
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10895
_journal_page_last               10905
_journal_paper_doi               10.1021/ic801044j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_structural     Pb5Ga3F19
_chemical_formula_sum            'F19 Ga3 Pb5'
_chemical_formula_weight         1606.16
_chemical_name_systematic        'Pentalead Trigallium Fluoride'
_space_group_IT_number           108
_symmetry_Int_Tables_number      108
_symmetry_space_group_name_Hall  'I 4 -2c'
_symmetry_space_group_name_H-M   'I 4 c m'
_audit_creation_date             08-04-29
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             08-04-29
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.3372(3)
_cell_length_b                   14.3372(3)
_cell_length_c                   7.4346(2)
_cell_measurement_reflns_used    222
_cell_measurement_temperature    298
_cell_measurement_theta_max      165.0
_cell_measurement_theta_min      10.0
_cell_volume                     1528.22(6)
_diffrn_measured_fraction_theta_full 0.99
_cod_data_source_file            ic801044j_si_001_1.cif
_cod_data_source_block           Pb5Ga3F19_model1
_cod_original_cell_volume        1528.2(6)
_cod_original_sg_symbol_Hall     I_4_-2c
_cod_original_formula_sum        'F19 Ga3 Pb5 '
_cod_database_code               4306125
Neutron Powder Diffraction, Multinuclear, and Multidimensional NMR Structural Investigation of Pb5Ga3F19
Charlotte Martineau; Franck Fayon; Christophe Legein; Jean-Yves Buzaré; François Goutenoire; Emmanuelle Suard; Inorganic Chemistry 47 (2008) 10895–10905; doi:10.1021/ic801044j

data_4306126
_publ_section_title
;
Neutron Powder Diffraction, Multinuclear, and Multidimensional NMR
Structural Investigation of Pb5Ga3F19
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10895
_journal_page_last               10905
_journal_paper_doi               10.1021/ic801044j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_structural     Pb5Ga3F19
_chemical_formula_sum            'F19 Ga3 Pb5'
_chemical_formula_weight         1606.16
_chemical_name_systematic        'Pentalead Trigallium Fluoride'
_space_group_IT_number           108
_symmetry_Int_Tables_number      108
_symmetry_space_group_name_Hall  'I 4 -2c'
_symmetry_space_group_name_H-M   'I 4 c m'
_audit_creation_date             08-06-05
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             08-06-05
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.3369(3)
_cell_length_b                   14.3369(3)
_cell_length_c                   7.4344(2)
_cell_measurement_reflns_used    222
_cell_measurement_temperature    298
_cell_measurement_theta_max      165.0
_cell_measurement_theta_min      10.0
_cell_volume                     1528.12(6)
_diffrn_measured_fraction_theta_full 0.99
_cod_data_source_file            ic801044j_si_001_2.cif
_cod_data_source_block           Pb5Ga3F19_model2
_cod_original_cell_volume        1528.2(6)
_cod_original_sg_symbol_Hall     I_4_-2c
_cod_original_formula_sum        'F19 Ga3 Pb5 '
_cod_database_code               4306126
Large Mn25 Single-Molecule Magnet with Spin S=51/2: Magnetic and High-Frequency Electron Paramagnetic Resonance Spectroscopic Characterization of a Giant Spin State
Muralee Murugesu; Susumu Takahashi; Anthony Wilson; Khalil A. Abboud; Wolfgang Wernsdorfer; Stephen Hill; George Christou; Inorganic Chemistry 47 (2008) 9459–9470; doi:10.1021/ic801142p

data_4306301
_publ_section_title
;
Large Mn25 Single-Molecule Magnet with Spin S=51/2: Magnetic and
High-Frequency Electron Paramagnetic Resonance Spectroscopic
Characterization of a Giant Spin State
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9459
_journal_page_last               9470
_journal_paper_doi               10.1021/ic801142p
_journal_volume                  47
_journal_year                    2008
_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                98.881(2)
_cell_angle_beta                 99.923(2)
_cell_angle_gamma                117.003(2)
_cell_length_a                   15.8921(8)
_cell_length_b                   16.5027(8)
_cell_length_c                   17.2565(8)
_cell_volume                     3830.0(3)
_cod_data_source_file            ic801142p_si_002.cif
_cod_data_source_block           mh05
_cod_original_cell_volume        3829.96
_cod_database_code               4306301
Hydrothermal Synthesis, Crystal Structure, and Magnetic Properties of a New Inorganic Vanadium(III) Phosphate with a Chain Structure
Stanislav Ferdov; Mario S. Reis; Zhi Lin; Rute A. Sá Ferreira; Inorganic Chemistry 47 (2008) 10062–10066; doi:10.1021/ic801318c

data_4306494
_publ_section_title
;
Hydrothermal Synthesis, Crystal Structure, and Magnetic Properties of a New
Inorganic Vanadium(III) Phosphate with a Chain Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10062
_journal_page_last               10066
_journal_paper_doi               10.1021/ic801318c
_journal_volume                  47
_journal_year                    2008
_chemical_formula_structural     'Na3 V (O H) (H P O4) (P O4)'
_chemical_formula_sum            'H2 Na3 O9 P2 V'
_chemical_name_systematic
;
Trisodium Vanadium(III) Hydroxide Hydrogenphosphate(V) Phosphate(V)
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2008/07/08
_cell_angle_alpha                90
_cell_angle_beta                 96.79726
_cell_angle_gamma                90
_cell_length_a                   15.42393
_cell_length_b                   7.280043
_cell_length_c                   7.07091
_cell_volume                     788.390
_cod_data_source_file            ic801318c_si_002.cif
_cod_data_source_block           vanadophosphate
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        788.3897
_cod_original_formula_sum        'H2 V1 Na3 O9 P2'
_cod_database_code               4306494
The Contrasting Chemistry and Cancer Cell Cytotoxicity of Bipyridine and Bipyridinediol Ruthenium(II) Arene Complexes
Tijana Bugarcic; Abraha Habtemariam; Jana Stepankova; Pavla Heringova; Jana Kasparkova; Robert J. Deeth; Russell D. L. Johnstone; Alessandro Prescimone; Andrew Parkin; Simon Parsons; Viktor Brabec; Peter J. Sadler; Inorganic Chemistry 47 (2008) 11470–11486; doi:10.1021/ic801361m

data_4306541
_publ_section_title
;
The Contrasting Chemistry and Cancer Cell Cytotoxicity of Bipyridine and
Bipyridinediol Ruthenium(II) Arene Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11470
_journal_page_last               11486
_journal_paper_doi               10.1021/ic801361m
_journal_volume                  47
_journal_year                    2008
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.6900(10)
_cell_angle_gamma                90.00
_cell_length_a                   7.2697(2)
_cell_length_b                   16.7711(4)
_cell_length_c                   16.0993(4)
_cell_volume                     1934.84(9)
_cod_data_source_file            ic801361m_si_001_2.cif
_cod_data_source_block           ps0535
_cod_original_cell_volume        1934.84
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4306541
The Contrasting Chemistry and Cancer Cell Cytotoxicity of Bipyridine and Bipyridinediol Ruthenium(II) Arene Complexes
Tijana Bugarcic; Abraha Habtemariam; Jana Stepankova; Pavla Heringova; Jana Kasparkova; Robert J. Deeth; Russell D. L. Johnstone; Alessandro Prescimone; Andrew Parkin; Simon Parsons; Viktor Brabec; Peter J. Sadler; Inorganic Chemistry 47 (2008) 11470–11486; doi:10.1021/ic801361m

data_4306544
_publ_section_title
;
The Contrasting Chemistry and Cancer Cell Cytotoxicity of Bipyridine and
Bipyridinediol Ruthenium(II) Arene Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11470
_journal_page_last               11486
_journal_paper_doi               10.1021/ic801361m
_journal_volume                  47
_journal_year                    2008
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.7780(10)
_cell_angle_gamma                90.00
_cell_length_a                   12.7776(2)
_cell_length_b                   13.4949(3)
_cell_length_c                   14.4729(3)
_cell_volume                     2495.37(9)
_cod_data_source_file            ic801361m_si_001_5.cif
_cod_data_source_block           ps6008
_cod_original_cell_volume        2495.37
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4306544
The Kagomé Topology of the Gallium and Indium Metal-Organic Framework Types with a MIL-68 Structure: Synthesis, XRD, Solid-State NMR Characterizations, and Hydrogen Adsorption
Christophe Volkringer; Mohamed Meddouri; Thierry Loiseau; Nathalie Guillou; Jérôme Marrot; Gérard Férey; Mohamed Haouas; Francis Taulelle; Nathalie Audebrand; Michel Latroche; Inorganic Chemistry 47 (2008) 11892–11901; doi:10.1021/ic801624v

data_4306786
_publ_section_title
;
The Kagom\'e Topology of the Gallium and Indium Metal-Organic Framework
Types with a MIL-68 Structure: Synthesis, XRD, Solid-State NMR
Characterizations, and Hydrogen Adsorption
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11892
_journal_page_last               11901
_journal_paper_doi               10.1021/ic801624v
_journal_volume                  47
_journal_year                    2008
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   21.176(4)
_cell_length_b                   36.703(8)
_cell_length_c                   6.7423(4)
_cell_volume                     5240.3(15)
_cod_data_source_file            ic801624v_si_004.cif
_cod_data_source_block           X
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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        5240(2)
_cod_database_code               4306786
Synthesis and structure of two tetranuclear osmium carbonyl isotopomers: a crystallographic isotope effect
Canal, John P.; Jennings, Michael; Yap, Glenn P. A.; Pomeroy, Roland K.; Dalton Transactions  (2008) 1375–1382; doi:10.1039/b711872d

data_7003101
_publ_section_title
;
 Synthesis and structure of two tetranuclear osmium carbonyl
 isotopomers: a crystallographic isotope effect
;
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              1375
_journal_page_last               1382
_journal_paper_doi               10.1039/b711872d
_journal_year                    2008
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.2270(10)
_cell_angle_gamma                90
_cell_length_a                   29.882(2)
_cell_length_b                   9.4147(7)
_cell_length_c                   15.2741(12)
_cell_volume                     4146.2(5)
_cod_data_source_file            b711872d.txt
_cod_data_source_block           CRYSTALS_cif
_cod_original_cell_volume        4146.21
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7003101
Structural chemistry of (PPh4)2M(WS4)2 materials
Crossland, Clare J.; Evans, Ivana Radosavljević; Evans, John S. O.; Dalton Transactions  (2008) 1597–1601; doi:10.1039/b716407f

data_7003473
_publ_section_title
;
 Structural chemistry of (PPh4)2M(WS4)2 materials
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              1597
_journal_page_last               1601
_journal_paper_doi               10.1039/b716407f
_journal_year                    2008
_chemical_formula_sum            'C48 H40 Ni P2 S8 W2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.8137(14)
_cell_angle_beta                 83.7511(14)
_cell_angle_gamma                69.5711(14)
_cell_length_a                   9.37308(20)
_cell_length_b                   12.49505(27)
_cell_length_c                   12.51894(26)
_cell_volume                     1252.36(5)
_cod_data_source_file            b716407f.txt
_cod_data_source_block           1
_cod_original_cell_volume        1252.358(49)
_cod_database_code               7003473
Structural chemistry of (PPh4)2M(WS4)2 materials
Crossland, Clare J.; Evans, Ivana Radosavljević; Evans, John S. O.; Dalton Transactions  (2008) 1597–1601; doi:10.1039/b716407f

data_7003474
_publ_section_title
;
 Structural chemistry of (PPh4)2M(WS4)2 materials
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              1597
_journal_page_last               1601
_journal_paper_doi               10.1039/b716407f
_journal_year                    2008
_chemical_formula_sum            'C192 H160 P8 S32 W8 Zn4'
_space_group_IT_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                 109.2386(16)
_cell_angle_gamma                90
_cell_length_a                   18.63971(44)
_cell_length_b                   15.36930(47)
_cell_length_c                   18.98220(53)
_cell_volume                     5134.3(2)
_cod_data_source_file            b716407f.txt
_cod_data_source_block           2
_cod_original_cell_volume        5134.32(25)
_cod_database_code               7003474
Structure determination of β-Pb2ZnF6 by coupling multinuclear solid state NMR, powder XRD and ab initio calculations
Martineau, Charlotte; Fayon, Franck; Legein, Christophe; Buzaré, Jean-Yves; Body, Monique; Massiot, Dominique; Goutenoire, François; Dalton Transactions  (2008) 6150–6158; doi:10.1039/b810863c

data_7004700
_publ_section_title
;
 Structure determination of \b-Pb2ZnF6 by coupling multinuclear solid
 state NMR, powder XRD and ab initio calculations
;
_journal_issue                   44
_journal_name_full               'Dalton Transactions'
_journal_page_first              6150
_journal_page_last               6158
_journal_paper_doi               10.1039/b810863c
_journal_year                    2008
_chemical_formula_structural     Pb2ZnF6
_chemical_formula_sum            'F24 Pb8 Zn4'
_chemical_formula_weight         593.78
_chemical_name_common            'Dilead hexafluorozincate'
_chemical_name_systematic        'Dilead hexafluorozincate'
_space_group_IT_number           138
_symmetry_Int_Tables_number      138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_audit_creation_date             08-01-16
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   5.6325(10)
_cell_length_b                   5.6325(10)
_cell_length_c                   16.2474(10)
_cell_measurement_temperature    363
_cell_volume                     515.45(13)
_diffrn_reflns_number            286
_cod_data_source_file            b810863c.txt
_cod_data_source_block           Pb2ZnF6_beta_WIEN2k
_cod_original_cell_volume        515.4(3)
_cod_original_sg_symbol_Hall     -P_4ac_2ac
_cod_original_sg_symbol_H-M      'P 42/n c m'
_cod_database_code               7004700
Structure determination of β-Pb2ZnF6 by coupling multinuclear solid state NMR, powder XRD and ab initio calculations
Martineau, Charlotte; Fayon, Franck; Legein, Christophe; Buzaré, Jean-Yves; Body, Monique; Massiot, Dominique; Goutenoire, François; Dalton Transactions  (2008) 6150–6158; doi:10.1039/b810863c

data_7004701
_publ_section_title
;
 Structure determination of \b-Pb2ZnF6 by coupling multinuclear solid
 state NMR, powder XRD and ab initio calculations
;
_journal_issue                   44
_journal_name_full               'Dalton Transactions'
_journal_page_first              6150
_journal_page_last               6158
_journal_paper_doi               10.1039/b810863c
_journal_year                    2008
_chemical_formula_structural     Pb2ZnF6
_chemical_formula_sum            'F24 Pb8 Zn4'
_chemical_formula_weight         593.78
_chemical_name_common            'Dilead hexafluorozincate'
_chemical_name_systematic        'Dilead hexafluorozincate'
_space_group_IT_number           138
_symmetry_Int_Tables_number      138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_audit_creation_date             08-01-16
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   5.6325(10)
_cell_length_b                   5.6325(10)
_cell_length_c                   16.2474(10)
_cell_measurement_temperature    363
_cell_volume                     515.45(13)
_diffrn_reflns_number            286
_cod_data_source_file            b810863c.txt
_cod_data_source_block           Pb2ZnF6_beta_XRD
_cod_original_cell_volume        515.4(3)
_cod_original_sg_symbol_Hall     -P_4ac_2ac
_cod_original_sg_symbol_H-M      'P 42/n c m'
_cod_database_code               7004701