LMucko/crystallography-open-database huggingface dataset:
Synthesis and crystal structure of Rb6Pb5Cl16
Beck, Horst P.; Schramm, Manfred; Hakerborn, Robert; Dinnebier, Robert; Stephens, Peter W.; Zeitschrift fur anorganische und allgemeine Chemie 624 (1998) 393–398; doi:

data_1546556
_publ_section_title
;
 Synthesis and crystal structure of Rb6Pb5Cl16
;
_journal_name_full
'Zeitschrift fur anorganische und allgemeine Chemie'
_journal_page_first              393
_journal_page_last               398
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Cl16 Pb5 Rb6'
_chemical_formula_weight         2116.05
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.85519(2)
_cell_length_b                   11.85519(2)
_cell_length_c                   11.23711(2)
_cell_volume                     1579.326(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         synchrotron
_diffrn_radiation_wavelength     1.15040
_exptl_absorpt_coefficient_mu    33.389
_exptl_crystal_density_diffrn    4.450
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1808
_pd_proc_ls_prof_R_factor        0.081
_pd_proc_ls_prof_wR_factor       0.114
_refine_ls_R_I_factor            0.072
_cod_data_source_file            Z-Anorg-Allg-Chem-1998-624-393-398.cif
_cod_data_source_block           Rb6Pb5Cl16
_cod_original_cell_volume        1579.326(6)
_cod_database_code               1546556
Structure determination of the new layered compound Cs2TiP2O8 and ionic conductivity of Cs2MP2O8 (M = Ti, V)
Daidouh, Abdelaali; Veiga, M. L.; Pico, C.; Solid State Ionics 104 (1997) 285–294; doi:

data_1546582
_publ_section_title
;
 Structure determination of the new layered compound Cs2TiP2O8 and ionic
 conductivity of Cs2MP2O8 (M = Ti, V)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              285
_journal_page_last               294
_journal_volume                  104
_journal_year                    1997
_chemical_formula_sum            'Cs2 O8 P2 Ti'
_chemical_formula_weight         503.62
_space_group_IT_number           62
_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                   13.521(0)
_cell_length_b                   7.253(2)
_cell_length_c                   9.439(9)
_cell_volume                     925.7(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    71.769
_exptl_crystal_density_diffrn    3.614
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             904
_pd_proc_ls_prof_R_factor        0.161
_pd_proc_ls_prof_wR_factor       0.180
_refine_ls_goodness_of_fit_ref   4.46
_refine_ls_number_parameters     42
_refine_ls_number_reflns         1501
_refine_ls_R_I_factor            0.0870
_cod_data_source_file            Solid-State-Ionics-1997-104-285-294.cif
_cod_data_source_block           Cs2TiP2O8
_cod_depositor_comments
;
No thermal parameter provided in the paper,
value U = 0.015 set arbitrarily

Strong disagreements between Volume given in the
paper and volume calculated from the cell parameters.

Strong disagreement between interatomic distances in
the paper and those calculated from the atomic coordinates
and cell parameters.
;
_cod_database_code               1546582
Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission
Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin; Chemistry of Materials 29 (2017) 6552–; doi:10.1021/acs.chemmater.7b02548

data_4002829
_publ_section_title
;
 Temperature and Eu2+-Doping Induced Phase Selection in NaAlSiO4
 Polymorphs and the Controlled Yellow/Blue Emission
;
_journal_issue                   15
_journal_name_full               'Chemistry of Materials'
_journal_page_first              6552
_journal_paper_doi               10.1021/acs.chemmater.7b02548
_journal_volume                  29
_journal_year                    2017
_chemical_formula_moiety         'Al3 O12 Si3, 3(Na)'
_chemical_formula_sum            'Al3 Na3 O12 Si3'
_chemical_formula_weight         426.18
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.108967(85)
_cell_length_b                   5.108967(85)
_cell_length_c                   12.48752(29)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    300
_cell_measurement_theta_max      69.9965007
_cell_measurement_theta_min      2.50028257
_cell_volume                     282.275(9)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    8.020
_exptl_crystal_density_diffrn    2.506988
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        139.993001
_pd_meas_2theta_range_min        5.00056514
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 2 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        6.922
_pd_proc_ls_prof_wR_expected     5.928
_pd_proc_ls_prof_wR_factor       9.175
_pd_proc_number_of_points        10384.0336
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.548
_refine_ls_R_I_factor            1.94
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            cm7b02548_si_004.cif
_cod_data_source_block           a
_cod_depositor_comments          'Adding full bibliography for 4002829.cif.'
_cod_original_cell_volume        282.275(11)
_cod_original_sg_symbol_Hall
;
P 32
;
_cod_original_sg_symbol_H-M      P32
_cod_original_formula_sum
;
Al3 Na3 O12 Si3
;
_cod_database_code               4002829
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco; Acta Crystallographica Section B 73 (2017) 399–412; doi:10.1107/S2052520617002505

data_2108111
_publ_section_title
;
 Synthesis, crystallization, X-ray structural characterization and
 solid-state assembly of a cyclic hexapeptoid with propargyl and
 methoxyethyl side chains
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1107/S2052520617002505
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         'C30 H46 N6 O10'
_chemical_formula_sum            'C30 H46 N6 O10'
_chemical_formula_weight         650.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.6202(14)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.02833(16)
_cell_length_b                   10.6182(2)
_cell_length_c                   18.0158(4)
_cell_measurement_temperature    100
_cell_volume                     1685.35(6)
_diffrn_ambient_temperature      100
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.427488(5)
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    0.041
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.282
_pd_char_colour                  white
_pd_char_particle_morphology     platy
_pd_instr_location               ' ID22 diffractometer, ESRF, Grenoble (France)'
_pd_meas_2theta_range_inc        14.869
_pd_meas_2theta_range_max        22.020
_pd_meas_2theta_range_min        0.105
_pd_meas_number_of_points        4384
_pd_prep_pressure                101
_pd_prep_temperature             300
_pd_proc_2theta_range_inc        14.869
_pd_proc_2theta_range_max        15.649
_pd_proc_2theta_range_min        0.780
_pd_proc_ls_background_function  Chebyshev
_pd_proc_ls_pref_orient_corr     ' sperical harmonics'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.05381
_pd_proc_ls_prof_wR_expected     0.02433
_pd_proc_ls_prof_wR_factor       0.07012
_pd_proc_wavelength              0.427488
_pd_spec_mounting                ' capillary 0.7 mm'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cyclinder
_refine_ls_goodness_of_fit_all   2.882
_refine_ls_R_I_factor            0.04091
_cod_data_source_file            ps5059sup5.txt
_cod_data_source_block           form_2
_cod_database_code               2108111
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco; Acta Crystallographica Section B 73 (2017) 399–412; doi:10.1107/S2052520617002505

data_2108112
_publ_section_title
;
 Synthesis, crystallization, X-ray structural characterization and
 solid-state assembly of a cyclic hexapeptoid with propargyl and
 methoxyethyl side chains
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1107/S2052520617002505
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         'C30 H46 N6 O10, H2 O'
_chemical_formula_sum            'C30 H48 N6 O11'
_chemical_formula_weight         668.74
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                78.318(4)
_cell_angle_beta                 88.636(4)
_cell_angle_gamma                83.546(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3412(3)
_cell_length_b                   9.3560(3)
_cell_length_c                   21.5561(9)
_cell_measurement_temperature    100(2)
_cell_volume                     1636.96(11)
_computing_structure_refinement  'Topas Academic (Coelho, 2007)'
_diffrn_ambient_temperature      100
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.849893(4)
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    0.157
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.357
_pd_char_colour                  white
_pd_char_particle_morphology     needle
_pd_instr_location               ' ID22 diffractometer, ESRF, Grenoble (France)'
_pd_meas_2theta_range_inc        29.8571
_pd_meas_2theta_range_max        48.010
_pd_meas_2theta_range_min        0.105
_pd_meas_number_of_points        9582
_pd_prep_pressure                101
_pd_prep_temperature             300
_pd_proc_ls_background_function  Chebyschev
_pd_proc_ls_pref_orient_corr     ' spherical harmonics   '
_pd_proc_ls_profile_function     psuedo-Voigt
_pd_proc_ls_prof_R_factor        0.08482
_pd_proc_ls_prof_wR_expected     0.09846
_pd_proc_ls_prof_wR_factor       0.10967
_pd_spec_mounting
; 
0.7 mm capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.114
_refine_ls_R_I_factor            0.0272
_cod_data_source_file            ps5059sup4.txt
_cod_data_source_block           form_1
_cod_original_cell_volume        1636.96(12)
_cod_database_code               2108112
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco; Acta Crystallographica Section B 73 (2017) 399–412; doi:10.1107/S2052520617002505

data_2108113
_publ_section_title
;
 Synthesis, crystallization, X-ray structural characterization and
 solid-state assembly of a cyclic hexapeptoid with propargyl and
 methoxyethyl side chains
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1107/S2052520617002505
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         'C30 H46 N6 O10'
_chemical_formula_sum            'C30 H46 N6 O10'
_chemical_formula_weight         650.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.595(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0297(5)
_cell_length_b                   10.6234(6)
_cell_length_c                   18.0121(12)
_cell_measurement_temperature    100
_cell_volume                     1686.25(18)
_diffrn_ambient_temperature      100
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.849893(4)
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    0.146
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.282
_pd_char_colour                  white
_pd_char_particle_morphology     platy
_pd_instr_location               ' ID22 diffractometer, ESRF, Grenoble (France)'
_pd_meas_2theta_range_inc        29.8571
_pd_meas_2theta_range_max        48.010
_pd_meas_2theta_range_min        0.105
_pd_meas_number_of_points        9582
_pd_prep_pressure                101
_pd_prep_temperature             300
_pd_proc_ls_background_function  Chebyshev
_pd_proc_ls_pref_orient_corr     ' spherical harmonics'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.08482
_pd_proc_ls_prof_wR_expected     0.09846
_pd_proc_ls_prof_wR_factor       0.10967
_pd_spec_mounting                ' capillary 0.7 mm'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cyclinder
_refine_ls_goodness_of_fit_all   1.114
_refine_ls_R_I_factor            0.0371
_cod_data_source_file            ps5059sup4.txt
_cod_data_source_block           form_2
_cod_original_cell_volume        1686.26(18)
_cod_database_code               2108113
The bi-layered precipitate phase ζ in the Al-Ag alloy system
Zhang, Zezhong; Bourgeois, Laure; Rosalie, Julian M.; Medhekar, Nikhil V.; Acta Materialia 132 (2017) 525–; doi:10.1016/j.actamat.2017.04.061

data_1546733
_publ_section_title
;
 The bi-layered precipitate phase \z in the Al-Ag alloy system
;
_journal_name_full               'Acta Materialia'
_journal_page_first              525
_journal_paper_doi               10.1016/j.actamat.2017.04.061
_journal_volume                  132
_journal_year                    2017
_chemical_formula_sum            'Ag Al'
_chemical_formula_weight         1618.196868
_chemical_name_systematic        'Silver aluminum (0.5/0.5)'
_space_group_IT_number           166
_space_group_name_H-M_alt        'R -3 m'
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   2.97545
_cell_length_b                   2.97545
_cell_length_c                   26.88393
_cell_volume                     206.124
_cod_data_source_file            zeta.cif
_cod_data_source_block           global
_cod_depositor_comments          'Update the title'
_cod_original_formula_sum        'Ag1 Al1'
_cod_database_code               1546733
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical
Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed; Acta Crystallographica Section B 73 (2017) 544–549; doi:10.1107/S2052520617008241

data_2108143
_publ_section_title
;
 When combined X-ray and polarized neutron diffraction data challenge
 high-level calculations: spin-resolved electron density of an organic
 radical
;
_journal_coeditor_code           XF5001
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              544
_journal_page_last               549
_journal_paper_doi               10.1107/S2052520617008241
_journal_volume                  73
_journal_year                    2017
_chemical_formula_sum            'C28 H38 N4 O4 S2'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 115.13
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.34
_cell_length_b                   19.482
_cell_length_c                   8.634
_cell_volume                     1422.353
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         40.270
_diffrn_reflns_theta_min         2.606
_exptl_absorpt_coefficient_mu    0.228
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_description       spherical
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_reflns_number_gt                7301
_reflns_number_total             8800
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            xf5001sup1.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        1422.4
_cod_database_code               2108143
_shelx_estimated_absorpt_t_min   0.9
_shelx_estimated_absorpt_t_max   0.9
_cod_database_fobs_code 2108143
Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr)
Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya; Phys. Chem. Chem. Phys.  (2017) –; doi:10.1039/C7CP03714G

data_7228816
_publ_section_title
;
 Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and
 O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr)
;
_journal_name_full               'Phys. Chem. Chem. Phys.'
_journal_paper_doi               10.1039/C7CP03714G
_journal_year                    2017
_chemical_formula_moiety         'La1 N2 O1 Ta1'
_chemical_formula_structural     'La Ta O N2'
_chemical_formula_sum            'La N2 O Ta'
_chemical_formula_weight         363.88
_chemical_name_systematic        'Tantalum Lanthanum Dinitride Oxide'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_audit_creation_date             2016/06/07
_audit_update_record
;
2017-05-26 deposited with the CCDC.
2017-07-31 downloaded from the CCDC.
;
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.70714(16)
_cell_length_b                   8.0548(2)
_cell_length_c                   5.74023(18)
_cell_measurement_pressure       0
_cell_measurement_reflns_used    314
_cell_measurement_temperature    298
_cell_measurement_theta_max      59.96
_cell_measurement_theta_min      9.45
_cell_volume                     263.878(13)
_computing_structure_refinement  'Fullprof suite (2015)'
_diffrn_ambient_pressure         '1.0 atm'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Rigaku MiniFlex'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a~1,2~'
_diffrn_source                   'sealed X-ray tube'
_exptl_crystal_density_diffrn    9.159
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_number_of_points        11495
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        120.0
_pd_proc_2theta_range_min        15.0
_refine_ls_R_factor_all          0.025
_cod_data_source_file            c7cp03714g2.cif
_cod_data_source_block           00000000-ICSD
_cod_original_cell_volume        263.88(1)
_cod_original_formula_sum        'La1 N2 O1 Ta1'
_cod_database_code               7228816