LMucko/crystallography-open-database huggingface dataset:
Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry
Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac; Nature Chemistry 10 (2018) 1056–1061; doi:10.1038/s41557-018-0107-7

data_1551498
_publ_section_title
;
 Formation of the layered conductive magnet CrCl2(pyrazine)2 through
 redox-active coordination chemistry
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              1056
_journal_page_last               1061
_journal_paper_doi               10.1038/s41557-018-0107-7
_journal_volume                  10
_journal_year                    2018
_chemical_formula_sum            'C8 H16 Cl2 Cr N4'
_chemical_formula_weight         2
_chemical_name_mineral           CrCl2pyz2
_space_group_IT_number           71
_space_group_name_Hall           '-I 2 2'
_space_group_name_H-M_alt        'I m m m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.90351(4)
_cell_length_b                   6.97713(4)
_cell_length_c                   10.82548(6)
_cell_volume                     521.428(5)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.82626
_pd_proc_ls_prof_wR_factor       2.2313
_refine_ls_goodness_of_fit_ref   4.9211
_cod_data_source_file            41557_2018_107_MOESM2_ESM.cif
_cod_data_source_block           1
_cod_original_cell_volume        521.427(6)
_cod_original_formula_sum        'C8 H16 N4 Cr Cl2'
_cod_database_code               1551498
Zero thermal expansion and ferromagnetism in cubic Sc1-x Mx F3 (M = Ga, Fe) over a wide temperature range
Hu, Lei; Chen, Jun; Fan, Longlong; Ren, Yang; Rong, Yangchun; Pan, Zhao; Deng, Jinxia; Yu, Ranbo; Xing, Xianran; Journal of the American Chemical Society 136 (2014) 13566–13569; doi:10.1021/ja5077487

data_4127282
_publ_section_title
;
 Zero thermal expansion and ferromagnetism in cubic Sc1-x Mx F3 (M = Ga,
 Fe) over a wide temperature range
;
_journal_coden_ASTM              JACSAT
_journal_issue                   39
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13566
_journal_page_last               13569
_journal_paper_doi               10.1021/ja5077487
_journal_volume                  136
_journal_year                    2014
_chemical_formula_structural     'Sc F3'
_chemical_formula_sum            'F3 Sc'
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   4.01245(7)
_cell_length_b                   4.01245(7)
_cell_length_c                   4.01245(7)
_cell_measurement_temperature    300.
_cell_volume                     64.599(2)
_cod_data_source_file            ScF3_Pm_3m_Hu_DC297.cif
_cod_data_source_block           chateigner
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2020-09-24
;
_cod_original_cell_volume        64.6
_cod_original_formula_sum        'F3 Sc1'
_cod_database_code               4127282
Synthesis of cubic SrCoO3single crystal and its anisotropic magnetic and transport properties
Long, Youwen; Kaneko, Yoshio; Ishiwata, Shintaro; Taguchi, Yasujiro; Tokura, Yoshinori; Journal of Physics: Condensed Matter 23 (2011) 245601–; doi:10.1088/0953-8984/23/24/245601

data_1551939
_publ_section_title
;
 Synthesis of cubic SrCoO3single crystal and its anisotropic magnetic and
 transport properties
;
_journal_issue                   24
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              245601
_journal_paper_doi               10.1088/0953-8984/23/24/245601
_journal_volume                  23
_journal_year                    2011
_chemical_formula_sum            'Co O3 Sr'
_chemical_name_systematic        'Sr Co O3'
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.82890
_cell_length_b                   3.82890
_cell_length_c                   3.82890
_cell_volume                     56.133
_cod_data_source_file            SrCoO3.cif
_cod_data_source_block           SrCoO3
_cod_database_code               1551939
Mass enhancement versus Stoner enhancement in strongly correlated metallic perovskites: LaNiO3 and LaCuO3
Zhou, J.-S.; Marshall, L. G.; Goodenough, J. B.; Physical Review B 89 (2014) 245138–; doi:10.1103/PhysRevB.89.245138

data_1551940
_publ_section_title
;
 Mass enhancement versus Stoner enhancement in strongly correlated
 metallic perovskites: LaNiO3 and LaCuO3
;
_journal_issue                   24
_journal_name_full               'Physical Review B'
_journal_page_first              245138
_journal_paper_doi               10.1103/PhysRevB.89.245138
_journal_volume                  89
_journal_year                    2014
_chemical_formula_structural     'La Cu O3'
_chemical_formula_sum            'Cu La O3'
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.49944
_cell_length_b                   5.49944
_cell_length_c                   13.21720
_cell_volume                     346.184
_cod_data_source_file            LaCuO3-R3c.cif
_cod_data_source_block           VESTA_phase_1
_cod_depositor_comments
;Fixed chemical formula.

 Fixed atom types

 Correct Biso values, edit spacing in title.
;
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               1551940
Structure and properties of the LaCuO3−δ perovskites
Bringley, J. F.; Scott, B. A.; La Placa, S. J.; McGuire, T. R.; Mehran, F.; McElfresh, M. W.; Cox, D. E.; Physical Review B 47 (1993) 15269–; doi:10.1103/PhysRevB.47.15269

data_1551985
_publ_section_title
;
 Structure and properties of the LaCuO3&#x2212;\d perovskites
;
_journal_issue                   22
_journal_name_full               'Physical Review B'
_journal_page_first              15269
_journal_paper_doi               10.1103/PhysRevB.47.15269
_journal_volume                  47
_journal_year                    1993
_chemical_formula_structural     'La Cu O3'
_chemical_formula_sum            'Cu La O3'
_space_group_IT_number           83
_space_group_name_Hall           '-P 4'
_space_group_name_H-M_alt        'P 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.81897
_cell_length_b                   3.81897
_cell_length_c                   3.97258
_cell_volume                     57.938
_cod_data_source_file            LaCuO3-P4m.cif
_cod_data_source_block           VESTA_phase_1
_cod_database_code               1551985
K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks
Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie; New Journal of Chemistry 43 (2019) 11660–; doi:10.1039/C9NJ02543J

data_7058577
_publ_section_title
;
 K2[B4O5(OH)4]&#x00B7;H2O and K2[B4O5(OH)4]: two new hydrated potassium
 borates with isolated [B4O5(OH)4]2&#x2212; units and different structural
 frameworks
;
_journal_issue                   29
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11660
_journal_paper_doi               10.1039/C9NJ02543J
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'B4 H6 K2 O10'
_chemical_formula_weight         287.490
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2019-01-21
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-04-25 deposited with the CCDC.    2019-07-05 downloaded from the CCDC.
;
_cell_angle_alpha                68.583(3)
_cell_angle_beta                 88.338(3)
_cell_angle_gamma                74.860(4)
_cell_formula_units_Z            2
_cell_length_a                   7.1689(4)
_cell_length_b                   7.8464(4)
_cell_length_c                   8.9736(4)
_cell_volume                     452.36(4)
_refine_ls_R_factor_all          0.043
_cod_data_source_file            c9nj02543j2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7058576--7058577.cif.'
_cod_original_cell_volume        452.4(0)
_cod_original_sg_symbol_Hall     -P_1
_cod_original_formula_sum        'H6 B4 K2 O10'
_cod_database_code               7058577
Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune; Nature Chemistry 8 (2016) 784–790; doi:10.1038/nchem.2528

data_1552014
_publ_section_title
;
 Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              784
_journal_page_last               790
_journal_paper_doi               10.1038/nchem.2528
_journal_volume                  8
_journal_year                    2016
_chemical_formula_sum            'O5 Xe2'
_chemical_formula_weight         342.58
_space_group_IT_number           130
_space_group_name_Hall           '-P 4a 2ac'
_space_group_name_H-M_alt        'P 4/n c c :2'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   4.9826
_cell_length_b                   4.9826
_cell_length_c                   9.9548
_cell_measurement_pressure       8.3e7
_cell_volume                     247.141
_diffrn_ambient_pressure         8.3e7
_cod_data_source_file            nchem.2528-s2.cif
_cod_data_source_block           Xe2O5-P4ncc-83GPa
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Tetragonal' was changed to
'tetragonal' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        247.14
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_structure_determination_method theoretical
_cod_database_code               1552014
Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune; Nature Chemistry 8 (2016) 784–790; doi:10.1038/nchem.2528

data_1552015
_publ_section_title
;
 Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              784
_journal_page_last               790
_journal_paper_doi               10.1038/nchem.2528
_journal_volume                  8
_journal_year                    2016
_chemical_formula_sum            'O Xe2'
_chemical_formula_weight         278.58
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_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                90.000
_cell_angle_beta                 93.325
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   10.0009
_cell_length_b                   3.20600
_cell_length_c                   11.0813
_cell_measurement_pressure       8.3e7
_cell_volume                     354.700
_diffrn_ambient_pressure         8.3e7
_cod_data_source_file            nchem.2528-s3.cif
_cod_data_source_block           Xe2O-C2m-83GPa
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        354.70
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_structure_determination_method theoretical
_cod_database_code               1552015
Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune; Nature Chemistry 8 (2016) 784–790; doi:10.1038/nchem.2528

data_1552016
_publ_section_title
;
 Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              784
_journal_page_last               790
_journal_paper_doi               10.1038/nchem.2528
_journal_volume                  8
_journal_year                    2016
_chemical_formula_sum            'O2 Xe3'
_chemical_formula_weight         425.87
_space_group_IT_number           71
_space_group_name_Hall           '-I 2 2'
_space_group_name_H-M_alt        'I m m m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   8.5363
_cell_length_b                   3.2173
_cell_length_c                   4.9636
_cell_measurement_pressure       8.3e7
_cell_volume                     136.320
_diffrn_ambient_pressure         8.3e7
_cod_data_source_file            nchem.2528-s4.cif
_cod_data_source_block           Xe3O2-Immm-83GPa
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the built-in table derived from
the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        136.32
_cod_structure_determination_method theoretical
_cod_database_code               1552016
Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune; Nature Chemistry 8 (2016) 784–790; doi:10.1038/nchem.2528

data_1552017
_publ_section_title
;
 Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              784
_journal_page_last               790
_journal_paper_doi               10.1038/nchem.2528
_journal_volume                  8
_journal_year                    2016
_chemical_formula_sum            'O2 Xe'
_chemical_formula_weight         163.29
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_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                   3.56140
_cell_length_b                   5.79870
_cell_length_c                   4.40540
_cell_measurement_pressure       2e8
_cell_volume                     90.978
_diffrn_ambient_pressure         2e8
_cod_data_source_file            nchem.2528-s5.cif
_cod_data_source_block           XeO2-Pnma-200GPa
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the built-in table derived from
the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        90.98
_cod_structure_determination_method theoretical
_cod_database_code               1552017
Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune; Nature Chemistry 8 (2016) 784–790; doi:10.1038/nchem.2528

data_1552018
_publ_section_title
;
 Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              784
_journal_page_last               790
_journal_paper_doi               10.1038/nchem.2528
_journal_volume                  8
_journal_year                    2016
_chemical_formula_sum            'O3 Xe'
_chemical_formula_weight         179.29
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.65360
_cell_length_b                   3.28880
_cell_length_c                   4.52770
_cell_measurement_pressure       1.5e8
_cell_volume                     113.967
_diffrn_ambient_pressure         1.5e8
_cod_data_source_file            nchem.2528-s6.cif
_cod_data_source_block           XeO3-P212121-150GPa
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the built-in table derived from
the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        113.97
_cod_structure_determination_method theoretical
_cod_database_code               1552018
Tridentate diarylamido-based pincer complexes of nickel and palladium: sidearm effects in the polymerization of norbornene.
You, Fen; Liu, Hui; Luo, Gen; Shi, Xiaochao; Dalton transactions (Cambridge, England : 2003) 48 (2019) 12219–12227; doi:10.1039/c9dt02361e

data_7700479
_publ_section_title
;
 Tridentate diarylamido-based pincer complexes of nickel and palladium:
 sidearm effects in the polymerization of norbornene.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12219
_journal_page_last               12227
_journal_paper_doi               10.1039/c9dt02361e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C20 H18 Cl N3 O Pd'
_chemical_formula_weight         458.220
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2019-05-24
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-05-29 deposited with the CCDC.    2019-07-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 100.732(8)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   10.032(7)
_cell_length_b                   14.426(10)
_cell_length_c                   12.576(9)
_cell_volume                     1788(2)
_refine_ls_R_factor_all          0.031
_cod_data_source_file            c9dt02361e2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7700479--7700481.cif.'
_cod_original_cell_volume        1788.2(20)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               7700479
Tridentate diarylamido-based pincer complexes of nickel and palladium: sidearm effects in the polymerization of norbornene.
You, Fen; Liu, Hui; Luo, Gen; Shi, Xiaochao; Dalton transactions (Cambridge, England : 2003) 48 (2019) 12219–12227; doi:10.1039/c9dt02361e

data_7700481
_publ_section_title
;
 Tridentate diarylamido-based pincer complexes of nickel and palladium:
 sidearm effects in the polymerization of norbornene.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12219
_journal_page_last               12227
_journal_paper_doi               10.1039/c9dt02361e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C27 H23 Cl N2 O3 Pd S'
_chemical_formula_weight         597.380
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2'
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_audit_creation_date             2019-05-22
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-05-29 deposited with the CCDC.    2019-07-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   10.9254(10)
_cell_length_b                   16.9935(15)
_cell_length_c                   28.235(3)
_cell_volume                     5242.1(9)
_refine_ls_R_factor_all          0.030
_cod_data_source_file            c9dt02361e2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7700479--7700481.cif.'
_cod_original_cell_volume        5242.1(8)
_cod_original_sg_symbol_Hall     C_2c_2
_cod_database_code               7700481