LMucko/crystallography-open-database huggingface dataset:
Tuning Slow Magnetic Relaxation in a Two-Dimensional Dysprosium Layer Compound through Guest Molecules.
Chen, Qi; Li, Jian; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Sun, Jun-Liang; Gao, Song; Inorganic chemistry 55 (2016) 7980–7987; doi:10.1021/acs.inorgchem.6b01014

data_4348142
_publ_section_title
;
 Tuning Slow Magnetic Relaxation in a Two-Dimensional Dysprosium Layer
 Compound through Guest Molecules.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7980
_journal_page_last               7987
_journal_paper_doi               10.1021/acs.inorgchem.6b01014
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C35 Dy2 N7 O13'
_chemical_formula_weight         1051.42
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.3008(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   11.8628(8)
_cell_length_b                   13.087(3)
_cell_length_c                   13.6022(8)
_cell_measurement_temperature    298
_cell_measurement_theta_max      60
_cell_measurement_theta_min      5
_cell_volume                     1967.5(5)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'PANalytical Empyrean'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_theta_max         60
_diffrn_reflns_theta_min         5
_exptl_absorpt_coefficient_mu    20.707
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_F_000             990.0
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_pref_orient_corr
' ?                                                                         '
_pd_proc_ls_profile_function     'PearsonVII Peak Type'
_pd_proc_ls_prof_R_factor        0.01502
_pd_proc_ls_prof_wR_expected     0.00763
_pd_proc_ls_prof_wR_factor       0.02140
_refine_ls_goodness_of_fit_all   2.805
_refine_ls_number_parameters     76
_refine_ls_R_I_factor            0.00778
_refine_ls_shift/su_max          -0.01248(75)
_refine_ls_shift/su_mean         0.000
_cod_data_source_file            ic6b01014_si_003.cif
_cod_data_source_block           I
_cod_original_cell_volume        1967.5(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4348142
Facile synthesis of a Ag(i)-doped coordination polymer with enhanced catalytic performance in the photodegradation of azo dyes in water
Wang, Fan; Li, Fu-Ling; Xu, Miao-Miao; Yu, Hong; Zhang, Jian-Guo; Xia, Hai-Tao; Lang, Jian-Ping; Journal of Materials Chemistry A 3 (2015) 5908–; doi:10.1039/C5TA00302D

data_7236053
_publ_section_title
;
 Facile synthesis of a Ag(i)-doped coordination polymer with enhanced
 catalytic performance in the photodegradation of azo dyes in water
;
_journal_issue                   11
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              5908
_journal_paper_doi               10.1039/C5TA00302D
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C66 H81 F24 N11 O0 P4 Pb2 S4'
_chemical_formula_weight         2150.920
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2014-05-29
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-27 deposited with the CCDC.
2015-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 105.366(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   29.1107(14)
_cell_length_b                   10.0415(5)
_cell_length_c                   31.3043(14)
_cell_volume                     8823.6(7)
_refine_ls_R_factor_all          0.049
_cod_data_source_file            c5ta00302d2.cif
_cod_data_source_block           pb
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               7236053
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan; Inorganic chemistry 56 (2017) 5006–5016; doi:10.1021/acs.inorgchem.7b00013

data_4349386
_publ_section_title
;
 Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in
 Close to Room Temperature Superionic Conductors.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5006
_journal_page_last               5016
_journal_paper_doi               10.1021/acs.inorgchem.7b00013
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'B24 H24 K2 Na2'
_chemical_formula_weight         407.81
_chemical_name_mineral           ?c1-NaK(B12H12)?
_space_group_IT_number           202
_space_group_name_Hall           '-F 2 2 3'
_space_group_name_H-M_alt        'F m -3'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.6477(6)
_cell_length_b                   10.6477(6)
_cell_length_c                   10.6477(6)
_cell_measurement_temperature    300
_cell_volume                     1207.17(12)
_diffrn_ambient_temperature      300
_diffrn_detector_type            Pilatus
_diffrn_measurement_device_type  'one-axis goniometer'
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.00376
_pd_meas_2theta_range_max        36
_pd_meas_2theta_range_min        3.599
_pd_meas_number_of_points        8618
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.004
_pd_proc_2theta_range_max        36
_pd_proc_2theta_range_min        3.599
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_profile_function     TCHZ
_pd_proc_ls_prof_R_factor        0.45
_pd_proc_ls_prof_wR_expected     0.01
_pd_proc_ls_prof_wR_factor       0.32
_pd_spec_mounting                ' capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   34.
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     101
_refine_ls_R_I_factor            0.04
_cod_data_source_file            c1-NaK(B12H12)_Rietveld_300K.cif
_cod_data_source_block           c1-NaK(B12H12)
_cod_original_cell_volume        1207.16(19)
_cod_original_sg_symbol_H-M      Fm-3
_cod_original_formula_sum        'B24  H24 K2 Na2'
_cod_database_code               4349386
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan; Inorganic chemistry 56 (2017) 5006–5016; doi:10.1021/acs.inorgchem.7b00013

data_4349387
_publ_section_title
;
 Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in
 Close to Room Temperature Superionic Conductors.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5006
_journal_page_last               5016
_journal_paper_doi               10.1021/acs.inorgchem.7b00013
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'B12 Cs H12 Na'
_chemical_formula_weight         297.71
_chemical_name_mineral           ?m-NaCs(B12H12)?
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.353(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6227(7)
_cell_length_b                   12.1866(10)
_cell_length_c                   12.3024(11)
_cell_measurement_temperature    433
_cell_volume                     1141.87(17)
_diffrn_ambient_temperature      433
_diffrn_detector_type            Pilatus
_diffrn_measurement_device_type  'one-axis goniometer'
_pd_meas_2theta_range_inc        0.00376
_pd_meas_2theta_range_max        36
_pd_meas_2theta_range_min        3.599
_pd_meas_number_of_points        8618
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.004
_pd_proc_2theta_range_max        36
_pd_proc_2theta_range_min        3.599
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_profile_function     TCHZ
_pd_proc_ls_prof_R_factor        0.35
_pd_proc_ls_prof_wR_expected     0.003
_pd_proc_ls_prof_wR_factor       0.29
_pd_spec_mounting                ' capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   93.
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     101
_refine_ls_R_I_factor            0.08
_cod_data_source_file            m-NaCs(B12H12)_Rietveld_433K.cif
_cod_data_source_block           m-NaCs(B12H12)
_cod_original_cell_volume        1141.86(18)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'B12  Cs1 H12 Na1'
_cod_database_code               4349387
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan; Inorganic chemistry 56 (2017) 5006–5016; doi:10.1021/acs.inorgchem.7b00013

data_4349388
_publ_section_title
;
 Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in
 Close to Room Temperature Superionic Conductors.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5006
_journal_page_last               5016
_journal_paper_doi               10.1021/acs.inorgchem.7b00013
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'B24 H24 Na4'
_chemical_formula_weight         375.59
_chemical_name_mineral           ?c3-Na2B12H12?
_space_group_IT_number           202
_space_group_name_Hall           '-F 2 2 3'
_space_group_name_H-M_alt        'F m -3'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.528747
_cell_length_b                   10.528747
_cell_length_c                   10.528747
_cell_measurement_temperature    790
_cell_volume                     1167.159
_diffrn_ambient_temperature      790
_diffrn_detector_type            Pilatus
_diffrn_measurement_device_type  'one-axis goniometer'
_pd_meas_2theta_range_inc        0.00376
_pd_meas_2theta_range_max        26
_pd_meas_2theta_range_min        3.599
_pd_meas_number_of_points        5958
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.004
_pd_proc_2theta_range_max        26
_pd_proc_2theta_range_min        3.599
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_profile_function     TCHZ
_pd_proc_ls_prof_R_factor        0.20
_pd_proc_ls_prof_wR_expected     0.03
_pd_proc_ls_prof_wR_factor       0.26
_pd_spec_mounting                ' capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   10.
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     101
_refine_ls_R_I_factor            0.04
_cod_data_source_file            c3-Na2(B12H12)_Rietveld_790K.cif
_cod_data_source_block           c3-Na2(B12H12)
_cod_original_cell_volume        1167.15913
_cod_original_sg_symbol_H-M      Fm-3
_cod_original_formula_sum        'B24  H24 Na4'
_cod_database_code               4349388
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan; Inorganic chemistry 56 (2017) 5006–5016; doi:10.1021/acs.inorgchem.7b00013

data_4349389
_publ_section_title
;
 Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in
 Close to Room Temperature Superionic Conductors.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5006
_journal_page_last               5016
_journal_paper_doi               10.1021/acs.inorgchem.7b00013
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'B12 Cs H12 Na'
_chemical_formula_weight         297.72
_chemical_name_mineral           ?NaCs(B12H12)?
_space_group_IT_number           33
_space_group_name_Hall           'P -2ac -2n'
_space_group_name_H-M_alt        'P n 21 a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.4432(4)
_cell_length_b                   7.6628(3)
_cell_length_c                   12.5705(4)
_cell_measurement_temperature    690
_cell_volume                     1198.59(7)
_diffrn_ambient_temperature      690
_diffrn_detector_type            Pilatus
_diffrn_measurement_device_type  'one-axis goniometer'
_pd_meas_2theta_range_inc        0.00376
_pd_meas_2theta_range_max        36
_pd_meas_2theta_range_min        3.599
_pd_meas_number_of_points        8618
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.004
_pd_proc_2theta_range_max        36
_pd_proc_2theta_range_min        3.599
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_profile_function     TCHZ
_pd_proc_ls_prof_R_factor        0.21
_pd_proc_ls_prof_wR_expected     0.006
_pd_proc_ls_prof_wR_factor       0.12
_pd_spec_mounting                ' capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   19.
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     101
_refine_ls_R_I_factor            0.02
_cod_data_source_file            o-NaCs(B12H12)_Rietveld_690K.cif
_cod_data_source_block           o-NaCsB12H12
_cod_original_cell_volume        1198.58(7)
_cod_original_sg_symbol_H-M      Pn21a
_cod_original_formula_sum        'B12 Cs1 H12 Na1'
_cod_database_code               4349389
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan; Inorganic chemistry 56 (2017) 5006–5016; doi:10.1021/acs.inorgchem.7b00013

data_4349390
_publ_section_title
;
 Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in
 Close to Room Temperature Superionic Conductors.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5006
_journal_page_last               5016
_journal_paper_doi               10.1021/acs.inorgchem.7b00013
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'B12 Cs H12 Na'
_chemical_formula_weight         297.71
_chemical_name_mineral           ?h-NaCs(B12H12)?
_space_group_IT_number           186
_space_group_name_Hall           'P 6c -2c'
_space_group_name_H-M_alt        'P 63 m c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.6227(5)
_cell_length_b                   7.6227(5)
_cell_length_c                   12.280488
_cell_measurement_temperature    805
_cell_volume                     617.97(6)
_diffrn_ambient_temperature      805
_diffrn_detector_type            Pilatus
_diffrn_measurement_device_type  'one-axis goniometer'
_pd_meas_2theta_range_inc        0.00376
_pd_meas_2theta_range_max        36
_pd_meas_2theta_range_min        3.599
_pd_meas_number_of_points        8618
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.004
_pd_proc_2theta_range_max        36
_pd_proc_2theta_range_min        3.599
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_profile_function     TCHZ
_pd_proc_ls_prof_R_factor        0.35
_pd_proc_ls_prof_wR_expected     0.02
_pd_proc_ls_prof_wR_factor       0.26
_pd_spec_mounting                ' capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   17.
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     101
_refine_ls_R_I_factor            0.05
_cod_data_source_file            h-NaCs(B12H12)_Rietveld_805K.cif
_cod_data_source_block           h-NaCsB12H12
_cod_original_cell_volume        617.96(7)
_cod_original_sg_symbol_H-M      P63mc
_cod_original_formula_sum        'B12  Cs1 H12 Na1'
_cod_database_code               4349390
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan; Inorganic chemistry 56 (2017) 5006–5016; doi:10.1021/acs.inorgchem.7b00013

data_4349391
_publ_section_title
;
 Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in
 Close to Room Temperature Superionic Conductors.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5006
_journal_page_last               5016
_journal_paper_doi               10.1021/acs.inorgchem.7b00013
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'B12 H12 K0.41 Li1.59'
_chemical_formula_weight         168.86
_chemical_name_mineral           ?h-LiK(B12H12)?
_space_group_IT_number           186
_space_group_name_Hall           'P 6c -2c'
_space_group_name_H-M_alt        'P 63 m c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.0722(3)
_cell_length_b                   7.0722(3)
_cell_length_c                   11.9592(6)
_cell_measurement_temperature    570
_cell_volume                     518.01(4)
_diffrn_ambient_temperature      570
_diffrn_detector_type            Pilatus
_diffrn_measurement_device_type  'one-axis goniometer'
_pd_meas_2theta_range_inc        0.00376
_pd_meas_2theta_range_max        36
_pd_meas_2theta_range_min        3.599
_pd_meas_number_of_points        8618
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.004
_pd_proc_2theta_range_max        36
_pd_proc_2theta_range_min        3.599
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_profile_function     TCHZ
_pd_proc_ls_prof_R_factor        0.32
_pd_proc_ls_prof_wR_expected     0.01
_pd_proc_ls_prof_wR_factor       0.23
_pd_spec_mounting                ' capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   16.
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     101
_refine_ls_R_I_factor            0.07
_cod_data_source_file            h-LiK(B12H12)_Rietveld_570K.cif
_cod_data_source_block           h-LiKB12H12
_cod_original_cell_volume        518.01(6)
_cod_original_sg_symbol_H-M      P_63_m_c
_cod_original_formula_sum        'B12 H12  K0.41 Li1.59'
_cod_database_code               4349391
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan; Inorganic chemistry 56 (2017) 5006–5016; doi:10.1021/acs.inorgchem.7b00013

data_4349392
_publ_section_title
;
 Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in
 Close to Room Temperature Superionic Conductors.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5006
_journal_page_last               5016
_journal_paper_doi               10.1021/acs.inorgchem.7b00013
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'B12 Cs H12 Li'
_chemical_formula_weight         281.66
_chemical_name_mineral           ?o-LiCs(B12H12)?
_space_group_IT_number           33
_space_group_name_Hall           'P -2ac -2n'
_space_group_name_H-M_alt        'P n 21 a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.405(10)
_cell_length_b                   7.237(6)
_cell_length_c                   12.101(8)
_cell_measurement_temperature    300
_cell_volume                     1086.4(14)
_diffrn_ambient_temperature      300
_diffrn_detector_type            Pilatus
_diffrn_measurement_device_type  'one-axis goniometer'
_pd_meas_2theta_range_inc        0.00376
_pd_meas_2theta_range_max        36
_pd_meas_2theta_range_min        3.599
_pd_meas_number_of_points        8618
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.004
_pd_proc_2theta_range_max        36
_pd_proc_2theta_range_min        3.599
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_profile_function     TCHZ
_pd_proc_ls_prof_R_factor        0.22
_pd_proc_ls_prof_wR_expected     0.003
_pd_proc_ls_prof_wR_factor       0.13
_pd_spec_mounting                ' capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   41.
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     101
_refine_ls_R_I_factor            0.04
_cod_data_source_file            o-LiCs(B12H12)_Rietveld_300K.cif
_cod_data_source_block           o-LiCsB12H12
_cod_original_sg_symbol_H-M      Pn21a
_cod_original_formula_sum        'B12  Cs1 H12 Li1'
_cod_database_code               4349392