LMucko/crystallography-open-database huggingface dataset:
Rakovský, Erik; Hrobárik, Peter; To be published  () –; doi:

data_3000486
_journal_name_full               'To be published'
_chemical_formula_sum            'C47 H31 Cl3 N4 S'
_chemical_name_systematic
4,7-bis[(4-(N,N-diphenylamino)phenylethynyl]benzo[1,2,3]thiadiazole
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.3123(1)
_cell_length_b                   15.4065(2)
_cell_length_c                   24.0862(4)
_cell_measurement_temperature    100
_cell_volume                     3826.73(9)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_refine_ls_goodness_of_fit_ref   1.0314
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0654
_refine_ls_wR_factor_gt          0.1791
_refine_ls_wR_factor_ref         0.1896
_cod_database_code               3000486
_cod_hold_until_date             2024-07-25
Alkali metal alkoxyborate ester salts; a contemporary look at old compounds.
Berger, Amanda; Ibrahim, Ainee; Hales, Thomas A.; D'Angelo, Anita M; Buckley, Craig E.; Paskevicius, Mark; Dalton transactions (Cambridge, England : 2003) 53 (2024) 3638–3653; doi:10.1039/d3dt03721e

data_7715353
_publ_section_title
;
 Alkali metal alkoxyborate ester salts; a contemporary look at old
 compounds.
;
_publ_section_keywords
;
solid-state electrolyte
alkoxyborate
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3638
_journal_page_last               3653
_journal_paper_doi               10.1039/d3dt03721e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_iupac          'K[B O (C H3)4]'
_chemical_formula_moiety         'K 1+, C4 H12 B O4 1-'
_chemical_formula_sum            'C4 H12 B K O4'
_chemical_formula_weight         174.04
_space_group_IT_number           88
_space_group_name_Hall           'I 4bw -1bw'
_space_group_name_H-M_alt        'I 41/a :1'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   22.337(2)
_cell_length_b                   22.337(2)
_cell_length_c                   7.648(3)
_cell_measurement_reflns_used    187
_cell_measurement_temperature    298.65
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      1.5
_cell_volume                     3815.9(16)
_diffrn_ambient_temperature      298.65
_diffrn_measurement_device_type  'Mythen Detector'
_diffrn_radiation_monochromator  'Double crystal'
_diffrn_radiation_source         Synchrotron
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.774863(1)
_exptl_absorpt_coefficient_mu    0.653
_exptl_crystal_density_diffrn    1.12762
_exptl_crystal_F_000             1280
_cod_data_source_file            d3dt03721e1.cif
_cod_data_source_block           KB(OCH3)4
_cod_original_cell_volume        3815.6(4)
_cod_original_sg_symbol_H-M      I41/a
_cod_database_code               7715353
amina; Personal communication to COD  (2024) –; doi:

data_3500138
_journal_name_full               'Personal communication to COD'
_journal_year                    2024
_chemical_formula_moiety         'C48 N48 O52 Zn16 '
_chemical_formula_sum            'C48 N48 O52 Zn16'
_chemical_formula_weight         3127.20
_chemical_name_common            MOF-tetrazine
_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_audit_update_record
;
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   25.5193(14)
_cell_length_b                   25.5193(14)
_cell_length_c                   25.5193(14)
_cell_measurement_reflns_used    3278
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      67.56
_cell_measurement_theta_min      4.87
_cell_volume                     16619.1(16)
_cod_data_source_file            CIFtetrazine.cif
_cod_data_source_block           00000001
_cod_original_cell_volume        16619.1
_cod_original_formula_sum        'C48 N48 O52 Zn16 '
_cod_database_code               3500138
?
Nikiforov, Ivan V.; Titkov, Vladimir V.; Aksenov, Sergey M.; Lazoryak, Bogdan I.; Baryshnikova, Oksana V.; Deyneko, Dina V.; To be published in Journal of Structural Chemistry  () –; doi:

data_3000487
_publ_section_title
;
 ?
;
_journal_name_full
'To be published in Journal of Structural Chemistry'
_chemical_formula_sum            'La0.994 O28 P7 Sr8.006 Zn'
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.60505(12)
_cell_length_b                   10.60505(12)
_cell_length_c                   19.6899(3)
_cell_measurement_temperature    293
_cell_volume                     1917.78(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'X-ray Cu K\a'
_diffrn_radiation_wavelength     1.54187
_refine_ls_goodness_of_fit_all   2.26
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0426
_refine_ls_wR_factor_all         0.0524
_refine_ls_wR_factor_gt          0.0522
_cod_database_code               3000487
_cod_hold_until_date             2024-03-11
?
Nikiforov, Ivan V.; Titkov, Vladimir V.; Aksenov, Sergey M.; Lazoryak, Bogdan I.; Baryshnikova, Oksana V.; Deyneko, Dina V.; To be published in Journal of Structural Chemistry  () –; doi:

data_3000488
_publ_section_title
;
 ?
;
_journal_name_full
'To be published in Journal of Structural Chemistry'
_chemical_formula_sum            'La0.994 Mn0.2 O28 P7 Sr8.006 Zn0.8'
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.61298(14)
_cell_length_b                   10.61298(14)
_cell_length_c                   19.6972(3)
_cell_measurement_temperature    293
_cell_volume                     1921.36(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'X-ray Cu K\a'
_diffrn_radiation_wavelength     1.54187
_refine_ls_goodness_of_fit_all   2.78
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0566
_refine_ls_wR_factor_all         0.0654
_refine_ls_wR_factor_gt          0.0650
_cod_database_code               3000488
_cod_hold_until_date             2024-03-11
?
Nikiforov, Ivan V.; Titkov, Vladimir V.; Aksenov, Sergey M.; Lazoryak, Bogdan I.; Baryshnikova, Oksana V.; Deyneko, Dina V.; To be published in Journal of Structural Chemistry  () –; doi:

data_3000489
_publ_section_title
;
 ?
;
_journal_name_full
'To be published in Journal of Structural Chemistry'
_chemical_formula_sum            'La1.007 Mn0.5 O28 P7 Sr7.993 Zn0.5'
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.61991(9)
_cell_length_b                   10.61991(9)
_cell_length_c                   19.6977(2)
_cell_measurement_temperature    293
_cell_volume                     1923.92(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'X-ray Cu K\a'
_diffrn_radiation_wavelength     1.54187
_refine_ls_goodness_of_fit_all   2.15
_cod_database_code               3000489
_cod_hold_until_date             2024-03-11
?
Nikiforov, Ivan V.; Titkov, Vladimir V.; Aksenov, Sergey M.; Lazoryak, Bogdan I.; Baryshnikova, Oksana V.; Deyneko, Dina V.'; To be published in Journal of Structural Chemistry  () –; doi:

data_3000490
_publ_section_title
;
 ?
;
_journal_name_full
'To be published in Journal of Structural Chemistry'
_chemical_formula_sum            'La1.018 Mn0.7 O28 P7 Sr7.982 Zn0.3'
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.62499(13)
_cell_length_b                   10.62499(13)
_cell_length_c                   19.6996(3)
_cell_measurement_temperature    293
_cell_volume                     1925.95(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'X-ray Cu K\a'
_diffrn_radiation_wavelength     1.54187
_refine_ls_goodness_of_fit_all   2.77
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0673
_refine_ls_wR_factor_all         0.0702
_refine_ls_wR_factor_gt          0.0695
_cod_database_code               3000490
_cod_hold_until_date             2024-03-11
?
Nikiforov, Ivan V.; Titkov, Vladimir V.; Aksenov, Sergey M.; Lazoryak, Bogdan I.; Baryshnikova, Oksana V.; Deyneko, Dina V.; To be published in Journal of Structural Chemistry  () –; doi:

data_3000491
_publ_section_title
;
 ?
;
_journal_name_full
'To be published in Journal of Structural Chemistry'
_chemical_formula_sum            'La1.025 Mn0.9 O28 P7 Sr7.975 Zn0.1'
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.62783(13)
_cell_length_b                   10.62783(13)
_cell_length_c                   19.6952(3)
_cell_measurement_temperature    293
_cell_volume                     1926.55(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'X-ray Cu K\a'
_diffrn_radiation_wavelength     1.54187
_refine_ls_goodness_of_fit_all   2.81
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0699
_refine_ls_wR_factor_all         0.0787
_refine_ls_wR_factor_gt          0.0785
_cod_database_code               3000491
_cod_hold_until_date             2024-03-11
?
Nikiforov, Ivan V.; Titkov, Vladimir V.; Aksenov, Sergey M.; Lazoryak, Bogdan I.; Baryshnikova, Oksana V.; Deyneko, Dina V.; To be published in Journal of Structural Chemistry  () –; doi:

data_3000492
_publ_section_title
;
 ?
;
_journal_name_full
'To be published in Journal of Structural Chemistry'
_chemical_formula_sum            'La1.008 Mn O28 P7 Sr7.992'
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.63310(13)
_cell_length_b                   10.63310(13)
_cell_length_c                   19.6998(3)
_cell_measurement_temperature    293
_cell_volume                     1928.91(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'X-ray Cu K\a'
_diffrn_radiation_wavelength     1.54187
_refine_ls_goodness_of_fit_all   2.36
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0482
_refine_ls_wR_factor_all         0.0543
_refine_ls_wR_factor_gt          0.0542
_cod_database_code               3000492
_cod_hold_until_date             2024-03-11
Zhanina Petkova; Rusi Rusew; Boris Shivachev; Vanya Kurteva; To be published in Molecules  () –; doi:

data_3000493
_journal_name_full               'To be published in Molecules'
_chemical_formula_sum            'C8 H10 N4 S4'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.270(2)
_cell_angle_gamma                90
_cell_length_a                   12.3542(11)
_cell_length_b                   5.4771(5)
_cell_length_c                   9.8294(8)
_cell_measurement_temperature    295.00
_cell_volume                     611.00(9)
_diffrn_ambient_temperature      295.00
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1007
_cod_database_code               3000493
_cod_hold_until_date             2025-02-17
Zhanina S. Petkova; Rusi I. Rusew; Boris Shivachev; Vanya B. Kurteva; To be published in Molecules  () –; doi:

data_3000494
_journal_name_full               'To be published in Molecules'
_chemical_formula_sum            'C10 H14 N4 S4'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                99.56(2)
_cell_angle_beta                 103.889(19)
_cell_angle_gamma                90.88(2)
_cell_length_a                   5.640(3)
_cell_length_b                   6.849(4)
_cell_length_c                   9.469(6)
_cell_measurement_temperature    290.00
_cell_volume                     349.6(4)
_diffrn_ambient_temperature      290.00
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0504
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1178
_cod_database_code               3000494
_cod_hold_until_date             2025-02-17
Aidar T. Gubaidullin; To be published  () –; doi:

data_3000495
_journal_name_full               'To be published'
_chemical_formula_sum            'C58 H66 N2 O6 S4'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                99.331(4)
_cell_angle_beta                 90.112(4)
_cell_angle_gamma                94.896(4)
_cell_length_a                   12.2827(8)
_cell_length_b                   13.3684(9)
_cell_length_c                   16.9340(10)
_cell_measurement_temperature    296(2)
_cell_volume                     2733.4(3)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_R_factor_all          0.1686
_refine_ls_R_factor_gt           0.0732
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1746
_cod_database_code               3000495
_cod_hold_until_date             2024-09-02
Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties
Hettler, Simon; Singha-Roy, Kankona; Arenal, Raul; Panchakarla, Leela; Advanced Materials Interfaces  (2024) –; doi:

data_3000496
_publ_section_title
;
 Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties
;
_journal_name_full               'Advanced Materials Interfaces'
_journal_year                    2024
_chemical_formula_sum            'Co O2'
_chemical_formula_weight         90.93
_chemical_name_common            'cobalt dioxide'
_space_group_IT_number           8
_space_group_name_Hall           'C -2y'
_space_group_name_H-M_alt        'C 1 m 1'
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 98
_cell_angle_gamma                90
_cell_formula_units_Z            3
_cell_length_a                   4.83
_cell_length_b                   2.82
_cell_length_c                   4.5
_cell_volume                     60.696
_diffrn_radiation_type           'electron 300 kV'
_journal_article_reference       2400317
_cod_data_source_file            CoO2_nanoscrolls.cif
_cod_data_source_block           cobaltdioxideNSs
_cod_depositor_comments
'Releasing structure 3000496 into public domain as published material.'
_cod_original_cell_volume        60.806
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               3000496
Redox-neutral α-functionalization of pyrrolidines: facile access to α-aryl-substituted pyrrolidines
Tian, Feng-Xian; Liu, Fan-Fan; Wei, Jian; Xiao, Jia-Xi; Qu, Jin; RSC Advances 14 (2024) 11986–11991; doi:10.1039/D4RA00983E

data_7248417
_publ_section_title
;
 Redox-neutral \a-functionalization of pyrrolidines: facile access to
 \a-aryl-substituted pyrrolidines
;
_journal_issue                   17
_journal_name_full               'RSC Advances'
_journal_page_first              11986
_journal_page_last               11991
_journal_paper_doi               10.1039/D4RA00983E
_journal_volume                  14
_journal_year                    2024
_chemical_formula_sum            'C26 H34 N2 O2'
_chemical_formula_weight         406.550
_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             2023-09-04
_audit_creation_method           SHELXL-2014/8
_audit_update_record
;
2023-09-04 deposited with the CCDC.	2024-04-05 downloaded from the CCDC.
;
_cell_angle_alpha                82.43(3)
_cell_angle_beta                 64.17(3)
_cell_angle_gamma                76.64(3)
_cell_formula_units_Z            2
_cell_length_a                   10.168(2)
_cell_length_b                   10.859(2)
_cell_length_c                   11.191(2)
_cell_volume                     1081.4(5)
_refine_ls_R_factor_all          0.058
_cod_data_source_file            d4ra00983e2.cif
_cod_data_source_block           shelxl
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7248417
Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion.
Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe; Angewandte Chemie (International ed. in English)  (2024) e202402978–; doi:10.1002/anie.202402978

data_1571471
_publ_section_title
;
 Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound
 with the Elusive <sup>-</sup>C\\tb C-COO<sup>-</sup> Anion.
;
_journal_name_full
'Angewandte Chemie (International ed. in English)'
_journal_page_first              e202402978
_journal_paper_doi               10.1002/anie.202402978
_journal_year                    2024
_chemical_formula_sum            'C3 Na2 O2'
_chemical_formula_weight         114.01
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.
_cell_angle_beta                 102.186(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.3130(4)
_cell_length_b                   7.2925(4)
_cell_length_c                   6.4432(3)
_cell_volume                     381.80(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.47674
_exptl_absorpt_coefficient_mu    0.128
_exptl_crystal_density_diffrn    2.001
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             228
_pd_proc_ls_prof_R_factor        0.0439
_pd_proc_ls_prof_wR_factor       0.0557
_refine_ls_number_parameters     32
_refine_ls_number_reflns         298
_refine_ls_R_I_factor            0.0516
_cod_data_source_file            Angew-2024.cif
_cod_data_source_block           1
_cod_depositor_comments
;
Beamline BL9 of the DELTA synchrotron facility, Dortmund
Pilatus 100K detecteor (steps of 0.005 2-theta degrees)

 Removing H
;
_cod_original_cell_volume        381.80(5)
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               1571471
Junseong Lee; To be published in Materials  () –; doi:

data_3000498
_journal_name_full               'To be published in Materials'
_chemical_formula_sum            'K Nb O3'
_space_group_name_Hall           'C 2 -2'
_space_group_name_H-M_alt        'C m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6604(13)
_cell_length_b                   5.6637(13)
_cell_length_c                   4.0266(10)
_cell_measurement_temperature    296.15
_cell_volume                     129.09(5)
_diffrn_ambient_temperature      296.15
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.197
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.0920
_cod_database_code               3000498
_cod_hold_until_date             2025-04-27
_cod_depositor_requested_release_date 2025-04-27
Exploring bipolar resistive switching behavior of sprayed BaTiO3 thin films for nonvolatile memory application
Namade, Lahu D.; Patil, Amitkumar R.; Jadhav, Sonali R.; Dongale, Tukaram D.; Rajpure, Keshav Y.; Colloids and Surfaces A: Physicochemical and Engineering Aspects 692 (2024) 133902–; doi:10.1016/j.colsurfa.2024.133902

data_1571502
_publ_section_title
;
 Exploring bipolar resistive switching behavior of sprayed BaTiO3 thin
 films for nonvolatile memory application
;
_journal_name_full
'Colloids and Surfaces A: Physicochemical and Engineering Aspects'
_journal_page_first              133902
_journal_paper_doi               10.1016/j.colsurfa.2024.133902
_journal_volume                  692
_journal_year                    2024
_chemical_formula_structural     BaTiO3
_chemical_formula_sum            'Ba O3 Ti'
_chemical_formula_weight         233.192
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   4.00944
_cell_length_b                   4.00944
_cell_length_c                   4.00944
_cell_volume                     64.454
_exptl_crystal_density_diffrn    5.972
_cod_data_source_file            BTO325.cif
_cod_data_source_block
/var/www/html/cod/tmp/uploads/1714209312.2234-98C9596094087535.cif
_cod_original_cell_volume        64.454
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'Ba O3 Ti'
_cod_database_code               1571502