LMucko/crystallography-open-database huggingface dataset:
Effect of chemical composition on mass transfer in Y2Ti2O7 under oxygen potential gradient at high temperatures
Takano, M.; Matsudaira, T.; Kawai, E.; Kawashima, N.; Matsumoto, U.; Ogawa, T.; Takeuchi, M.; Kitaoka, S.; Journal of the Ceramic Society of Japan 129 (2021) 22–31; doi:10.2109/jcersj2.20165

data_1559965
_publ_section_title
;
 Effect of chemical composition on mass transfer in Y2Ti2O7 under oxygen
 potential gradient at high temperatures
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              22
_journal_page_last               31
_journal_paper_doi               10.2109/jcersj2.20165
_journal_volume                  129
_journal_year                    2021
_chemical_formula_sum            'O7 Ti2 Y2'
_chemical_name_common            'Y2Ti2O7 Y/Ti=1.003'
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            8
_cell_length_a                   10.09750(2)
_cell_length_b                   10.09750(2)
_cell_length_c                   10.09750(2)
_cell_volume                     1029.536(4)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Y2Ti2O7-1003.cif
_cod_data_source_block           Y2Ti2O7-1003
_cod_original_cell_volume        1029.536068
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Y2 Ti2 O7'
_cod_database_code               1559965
The Magnetic Properties of Nickel(II) 2,2-Dimethylpropanoate Dimers and the Crystal Structure of Di-2,4-lutidinetetrakis(mu-2,2-dimethylpropanoato)dinickel(II)
Hirashima, Nobuchika; Husebye, Steinar; Kato, Michinobu; Maartmann-Moe, Knut; Muto, Yoneichiro; Nakashima, Michio; Tokii, Tadashi; Acta Chemica Scandinavica 44 (1990) 984–989; doi:10.3891/acta.chem.scand.44-0984

data_1559966
_publ_section_title
;
 The Magnetic Properties of Nickel(II) 2,2-Dimethylpropanoate Dimers and
 the Crystal Structure of
 Di-2,4-lutidinetetrakis(mu-2,2-dimethylpropanoato)dinickel(II)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              984
_journal_page_last               989
_journal_paper_doi               10.3891/acta.chem.scand.44-0984
_journal_volume                  44
_journal_year                    1990
_chemical_formula_sum            'C17 H27 N Ni O4'
_chemical_formula_weight         368.1
_chemical_name_common
;
Di-2,4-lutidinetetrakis(mu-2,2-dimethylpropanoato)dinickel(II)
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                116.40(1)
_cell_angle_beta                 101.86(1)
_cell_angle_gamma                98.65(1)
_cell_formula_units_Z            2
_cell_length_a                   9.846(1)
_cell_length_b                   10.735(1)
_cell_length_c                   11.215(1)
_cell_volume                     998.8(2)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.990
_exptl_crystal_density_diffrn    1.224
_refine_ls_goodness_of_fit_ref   1.733
_refine_ls_number_reflns         4236
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_gt          0.057
_cod_data_source_file            Acta-Chem-Scand-1990-44-984.cif
_cod_data_source_block           1
_cod_original_cell_volume        998.8
_cod_database_code               1559966
Synthesis and Characterization of Tris(2-pyridylmethylamine)manganese(II) Perchlorate and its Zinc(II) Analogue
Hodgson, Derek J.; Michelsen, Kirsten; Pedersen, Erik; Acta Chemica Scandinavica 44 (1990) 1002–1005; doi:10.3891/acta.chem.scand.44-1002

data_1559967
_publ_section_title
;
 Synthesis and Characterization of Tris(2-pyridylmethylamine)manganese(II)
 Perchlorate and its Zinc(II) Analogue
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1002
_journal_page_last               1005
_journal_paper_doi               10.3891/acta.chem.scand.44-1002
_journal_volume                  44
_journal_year                    1990
_chemical_formula_sum            'C18 H24 Cl2 Mn N6 O8'
_chemical_formula_weight         578.26
_chemical_name_common
;
Tris(2-pyridylmethylamine)manganese(II) Perchlorate
;
_space_group_IT_number           218
_space_group_name_Hall           'P -4n 2 3'
_space_group_name_H-M_alt        'P -4 3 n'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   17.137(2)
_cell_length_b                   17.137(2)
_cell_length_c                   17.137(2)
_cell_volume                     5032.7(10)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.77
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_F_000             2376
_refine_ls_goodness_of_fit_ref   0.757
_refine_ls_number_reflns         582
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_gt          0.0538
_cod_data_source_file            Acta-Chem-Scand-1990-44-1002.cif
_cod_data_source_block           1
_cod_original_cell_volume        5032.7(18)
_cod_database_code               1559967
Copper(II) Complexes of 3-Aminopropanols. Synthesis and Structure of Trimeric Tetrakis(3-aminopropanolato)tricopper(II) Nitrate
Sillanpaa, Reijo; Rissanen, Kari; Acta Chemica Scandinavica 44 (1990) 1013–1017; doi:10.3891/acta.chem.scand.44-1013

data_1559968
_publ_section_title
;
 Copper(II) Complexes of 3-Aminopropanols. Synthesis and Structure of
 Trimeric Tetrakis(3-aminopropanolato)tricopper(II) Nitrate
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1013
_journal_page_last               1017
_journal_paper_doi               10.3891/acta.chem.scand.44-1013
_journal_volume                  44
_journal_year                    1990
_chemical_formula_sum            'C12 H32 Cu3 N6 O10'
_chemical_formula_weight         611.09
_chemical_name_common
;
Trimeric Tetrakis(3-aminopropanolato)tricopper(II) Nitrate
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 119.87(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   20.828(8)
_cell_length_b                   13.064(2)
_cell_length_c                   19.337(8)
_cell_volume                     4563(3)
_diffrn_ambient_temperature      291
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.84
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_F_000             2504
_refine_ls_number_parameters     376
_refine_ls_number_reflns         2603
_refine_ls_R_factor_gt           0.028
_refine_ls_wR_factor_gt          0.039
_cod_data_source_file            Acta-Chem-Scand-1990-44-1013.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1559968
The Plasticity of Cu(II) in [Cu(bipyridyl)2X]n+ Chromophores. Crystal and Molecular Structure of Tetrakis(2,2'-bipyridyl)-mu-nitratodicopper(II) Hexafluorophosphate
Sletten, Jorunn; Sorensen, Astrid; Acta Chemica Scandinavica 44 (1990) 1018–1023; doi:10.3891/acta.chem.scand.44-1018

data_1559969
_publ_section_title
;
 The Plasticity of Cu(II) in [Cu(bipyridyl)2X]n+ Chromophores. Crystal and
 Molecular Structure of Tetrakis(2,2'-bipyridyl)-mu-nitratodicopper(II)
 Hexafluorophosphate
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1018
_journal_page_last               1023
_journal_paper_doi               10.3891/acta.chem.scand.44-1018
_journal_volume                  44
_journal_year                    1990
_chemical_formula_sum            'C40 H32 Cu2 F18 N9 O3 P3'
_chemical_formula_weight         1248.73
_chemical_name_common
;
Tetrakis(2,2'-bipyridyl)-mu-nitratodicopper(II) Hexafluorophosphate
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                85.51(2)
_cell_angle_beta                 68.81(2)
_cell_angle_gamma                76.67(2)
_cell_formula_units_Z            2
_cell_length_a                   11.918(6)
_cell_length_b                   14.250(4)
_cell_length_c                   15.013(5)
_cell_volume                     2313.2(16)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.1438
_exptl_crystal_density_diffrn    1.793
_refine_ls_goodness_of_fit_ref   3.38
_refine_ls_number_parameters     676
_refine_ls_number_reflns         4081
_refine_ls_R_factor_gt           0.094
_refine_ls_wR_factor_gt          0.085
_cod_data_source_file            Acta-Chem-Scand-1990-44-1018.cif
_cod_data_source_block           1
_cod_database_code               1559969
A Single-Crystal X-Ray Structure Determination of Pb3(S2O3)2(CH3COO)2
Christensen, A. Norlund; Hazell, R. G.; Acta Chemica Scandinavica 44 (1990) 1077–1079; doi:10.3891/acta.chem.scand.44-1077

data_1559970
_publ_section_title
;
 A Single-Crystal X-Ray Structure Determination of Pb3(S2O3)2(CH3COO)2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1077
_journal_page_last               1079
_journal_paper_doi               10.3891/acta.chem.scand.44-1077
_journal_volume                  44
_journal_year                    1990
_chemical_formula_sum            'C4 H6 O10 Pb3 S4'
_chemical_formula_weight         963.944
_chemical_name_common
;
Pb3(S2O3)2(CH3COO)2
;
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   17.530(4)
_cell_length_b                   9.226(3)
_cell_length_c                   8.800(2)
_cell_volume                     1423.2(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    35.5
_exptl_crystal_density_diffrn    4.47
_exptl_crystal_F_000             1662
_refine_ls_number_reflns         1495
_refine_ls_R_factor_gt           0.060
_cod_data_source_file            Acta-Chem-Scand-1990-44-1077.cif
_cod_data_source_block           1
_cod_database_code               1559970
Rakovský, Erik; Šebesta, Radovan; Palchykov, Vitalii; To be published  () –; doi:

data_3000286
_journal_name_full               'To be published'
_chemical_formula_sum            'C34 H31 N3 O4'
_chemical_name_systematic
;         
2-((3R*,3'R*,4'S*,5'R*)-1-benzyl-3'-(4-methoxyphenyl)-2-oxo-5'-
phenylspiro[indoline-3,2'-pyrrolidin]-4'-yl)-N-methyl-2-oxoacetamide
;
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.034(4)
_cell_angle_gamma                90
_cell_length_a                   13.7836(7)
_cell_length_b                   16.0469(6)
_cell_length_c                   13.3142(6)
_cell_measurement_temperature    100
_cell_volume                     2857.0(2)
_diffrn_ambient_temperature      100.15
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0732
_cod_database_code               3000286
_cod_hold_until_date             2021-06-06
Rakovský, Erik; Šebesta, Radovan; Palchykov, Vitalii; To be published  () –; doi:

data_3000287
_journal_name_full               'To be published'
_chemical_formula_sum            'C28 H27 N3 O3'
_chemical_name_systematic
;         
(3R*,3'R*)-1-benzyl-3'-(4-methoxyphenyl)-N,N-dimethyl-2-oxo-3',4'-
dihydrospiro[indoline-3,2'-pyrrole]-5'-carboxamide
;
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                72.503(3)
_cell_angle_beta                 80.490(3)
_cell_angle_gamma                66.171(3)
_cell_length_a                   8.9767(4)
_cell_length_b                   10.3314(4)
_cell_length_c                   14.0050(6)
_cell_measurement_temperature    100.15
_cell_volume                     1131.73(9)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.0943
_cod_database_code               3000287
_cod_hold_until_date             2021-06-07
Phase transitions in langbeinites I: Crystal chemistry and structures of K-double sulfates of the langbeinite type M2(2+) K2 (S O4)3, M(2+) = Mg, Ni, Co, Zn, Ca
Speer, D.; Physics and Chemistry of Minerals  (1986) 17–; doi:

data_1560110
_publ_author_name                'Speer, D.'
_publ_section_title
;
 Phase transitions in langbeinites I: Crystal chemistry and structures of
 K-double sulfates of the langbeinite type M2(2+) K2 (S O4)3, M(2+) = Mg,
 Ni, Co, Zn, Ca
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              17
_journal_year                    1986
_chemical_formula_sum            'K2 Ni2 O12 S3'
_chemical_formula_weight         483.768
_space_group_IT_number           198
_space_group_name_Hall           'P 2ac 2ab 3'
_space_group_name_H-M_alt        'P 21 3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   9.84300
_cell_length_b                   9.84300
_cell_length_c                   9.84300
_cell_volume                     953.636
_exptl_crystal_density_diffrn    3.369
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            K2Ni2SO43.cif
_cod_data_source_block
/var/www/html/cod/tmp/uploads/1610905159.1662-EC082BA0FB3CB526.cif
_cod_database_code               1560110
Gasser, Tobias; Thoeny, Alexander; Fortes, Dominic; Loerting, Thomas; To be published in Nature Communications  () –; doi:

data_3000288
_journal_name_full               'To be published in Nature Communications'
_chemical_formula_sum            'D10 O5'
_chemical_name_common            'ice XIX'
_chemical_name_systematic        'dideuterium oxide'
_symmetry_space_group_name_H-M   'P -4'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   8.834721(33)
_cell_length_b                   8.834721(33)
_cell_length_c                   5.75542(5)
_cell_volume                     449.224(5)
_diffrn_ambient_pressure         10
_diffrn_ambient_temperature      70
_cod_database_code               3000288
_cod_hold_until_date             2021-02-22
Structure Analysis of Natural Wangdaodeite-LiNbO3-Type FeTiO3
Oliver Tschauner; Chi Ma; Matthew G. Newville; Antonio Lanzirotti; Minerals 10 (2020) 1072–; doi:10.3390/min10121072

data_1560196
_publ_section_title
;
 Structure Analysis of Natural Wangdaodeite-LiNbO3-Type FeTiO3
;
_journal_name_full               Minerals
_journal_page_first              1072
_journal_paper_doi               10.3390/min10121072
_journal_volume                  10
_journal_year                    2020
_chemical_compound_source        'Noerdlinger Ries'
_chemical_formula_sum            'Fe5.52 Mn0.48 O18 Ti6'
_chemical_formula_weight         909.915
_chemical_name_mineral           wangdaodeite
_chemical_name_systematic        Irontitanate
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   5.0788(4)
_cell_length_b                   5.0788(4)
_cell_length_c                   14.0860(20)
_cell_measurement_temperature    293
_cell_volume                     314.66(6)
_exptl_crystal_density_meas      4.854(2)
_pd_char_particle_morphology     subhedral
_cod_data_source_file            minerals-999323-supplementary.cif
_cod_data_source_block           Wangda
_cod_original_cell_volume        314.66(4)
_cod_original_sg_symbol_Hall     R-3
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe5.52 Mn0.48 Ti6 O18'
_cod_database_code               1560196
Efficient incorporation of a polar comonomer for direct synthesis of hyperbranched polar functional ethylene oligomers
Li, Shuaikang; Lu, Zhou; Fan, Weigang; Dai, Shengyu; New Journal of Chemistry 45 (2021) 4024–4031; doi:10.1039/D0NJ05857B

data_7060364
_publ_section_title
;
 Efficient incorporation of a polar comonomer for direct synthesis of
 hyperbranched polar functional ethylene oligomers
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4024
_journal_page_last               4031
_journal_paper_doi               10.1039/D0NJ05857B
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C42.25 H35.5 Cl7.5 N2 Pd'
_chemical_formula_weight         943.500
_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             2020-10-17
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-11-11 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                111.363(4)
_cell_angle_beta                 93.366(2)
_cell_angle_gamma                94.829(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9796(7)
_cell_length_b                   14.2509(14)
_cell_length_c                   17.1337(17)
_cell_volume                     2250.7(4)
_exptl_crystal_density_meas      1.384
_refine_ls_R_factor_all          0.103
_cod_data_source_file            d0nj05857b2.cif
_cod_data_source_block           200829d
_cod_depositor_comments          'Adding full bibliography for 7060364.cif.'
_cod_original_cell_volume        2250.7(3)
_cod_original_sg_symbol_Hall     -P_1
_cod_original_formula_sum        'C42.25 H35.50 Cl7.50 N2 Pd'
_cod_database_code               7060364
Crystal and electronic structure of the new quaternary sulfides TlLnAg2S3 (Ln = Nd, Sm and Gd)
Abdeljalil Assoud; Yixuan Shi; Quansheng Guo; Holger Kleinke; Journal of Solid State Chemistry 256 (2017) 6–9; doi:10.1016/j.jssc.2017.08.028

data_1560256
_publ_section_title
;
 Crystal and electronic structure of the new quaternary sulfides TlLnAg2S3
 (Ln = Nd, Sm and Gd)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              6
_journal_page_last               9
_journal_paper_doi               10.1016/j.jssc.2017.08.028
_journal_volume                  256
_journal_year                    2017
_chemical_formula_sum            'Ag2 Nd S3 Tl'
_chemical_formula_weight         660.54
_chemical_name_common
;
TlNdAg2S3
;
_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                   13.8141(3)
_cell_length_b                   4.1649(1)
_cell_length_c                   11.4008(2)
_cell_volume                     655.94(2)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    38.977
_exptl_crystal_density_diffrn    6.689
_exptl_crystal_F_000             1132
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_number_parameters     44
_refine_ls_number_reflns         1020
_refine_ls_R_factor_gt           0.021
_refine_ls_wR_factor_gt          0.045
_cod_data_source_file            JSSC-2017-256-6.cif
_cod_data_source_block           1
_cod_database_code               1560256