LMucko/crystallography-open-database huggingface dataset:
Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; ACS applied materials & interfaces 12 (2020) 38435–38440; doi:10.1021/acsami.0c12351

data_4517942
_publ_section_title
;
 Intrinsic Isotropic Near-Zero Thermal Expansion in
 Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38435
_journal_page_last               38440
_journal_paper_doi               10.1021/acsami.0c12351
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety
;
B6 O12 Se Zn4
;
_chemical_formula_sum            'B6 O12 Se Zn4'
_chemical_formula_weight         597.38
_chemical_name_mineral
;
;
_space_group_IT_number           217
_space_group_name_Hall           'I -4 2 3'
_space_group_name_H-M_alt        'I -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.68085(8)
_cell_length_b                   7.68085(8)
_cell_length_c                   7.68085(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    20
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.135(8)
_diffrn_ambient_temperature      20
_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    17.459
_exptl_crystal_density_diffrn    4.3782(3)
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90
_pd_meas_2theta_range_min        10
_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        5.59
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.47
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.27
_refine_ls_R_I_factor            1.77
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_20K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.135(14)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O12 Se Zn4
;
_cod_database_code               4517942
Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; ACS applied materials & interfaces 12 (2020) 38435–38440; doi:10.1021/acsami.0c12351

data_4517943
_publ_section_title
;
 Intrinsic Isotropic Near-Zero Thermal Expansion in
 Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38435
_journal_page_last               38440
_journal_paper_doi               10.1021/acsami.0c12351
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety
;
B6 O12 Se Zn4
;
_chemical_formula_sum            'B6 O12 Se Zn4'
_chemical_formula_weight         597.38
_chemical_name_mineral
;
;
_space_group_IT_number           217
_space_group_name_Hall           'I -4 2 3'
_space_group_name_H-M_alt        'I -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.68132(8)
_cell_length_b                   7.68132(8)
_cell_length_c                   7.68132(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    160
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.218(8)
_diffrn_ambient_temperature      160
_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    17.459
_exptl_crystal_density_diffrn    4.3763(5)
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90
_pd_meas_2theta_range_min        10
_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        5.61
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.37
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.21
_refine_ls_R_I_factor            1.68
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_160K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.219(15)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O12 Se Zn4
;
_cod_database_code               4517943
Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; ACS applied materials & interfaces 12 (2020) 38435–38440; doi:10.1021/acsami.0c12351

data_4517944
_publ_section_title
;
 Intrinsic Isotropic Near-Zero Thermal Expansion in
 Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38435
_journal_page_last               38440
_journal_paper_doi               10.1021/acsami.0c12351
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety
;
B6 O12 Se Zn4
;
_chemical_formula_sum            'B6 O12 Se Zn4'
_chemical_formula_weight         597.38
_chemical_name_mineral
;
;
_space_group_IT_number           217
_space_group_name_Hall           'I -4 2 3'
_space_group_name_H-M_alt        'I -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.68233(8)
_cell_length_b                   7.68233(8)
_cell_length_c                   7.68233(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    220
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.397(8)
_diffrn_ambient_temperature      220
_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    17.459
_exptl_crystal_density_diffrn    4.3745(4)
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90
_pd_meas_2theta_range_min        10
_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        5.69
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.36
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.20
_refine_ls_R_I_factor            1.55
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_220K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.396(13)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O12 Se Zn4
;
_cod_database_code               4517944
Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; ACS applied materials & interfaces 12 (2020) 38435–38440; doi:10.1021/acsami.0c12351

data_4517945
_publ_section_title
;
 Intrinsic Isotropic Near-Zero Thermal Expansion in
 Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38435
_journal_page_last               38440
_journal_paper_doi               10.1021/acsami.0c12351
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety
;
B6 O12 Se Zn4
;
_chemical_formula_sum            'B6 O12 Se Zn4'
_chemical_formula_weight         597.38
_chemical_name_mineral
;
;
_space_group_IT_number           217
_space_group_name_Hall           'I -4 2 3'
_space_group_name_H-M_alt        'I -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.68087(7)
_cell_length_b                   7.68087(7)
_cell_length_c                   7.68087(7)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    60
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.139(7)
_diffrn_ambient_temperature      60
_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    17.459
_exptl_crystal_density_diffrn    4.3780(4)
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90
_pd_meas_2theta_range_min        10
_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        5.66
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.49
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.29
_refine_ls_R_I_factor            1.70
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_60K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.138(13)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O12 Se Zn4
;
_cod_database_code               4517945
Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; ACS applied materials & interfaces 12 (2020) 38435–38440; doi:10.1021/acsami.0c12351

data_4517946
_publ_section_title
;
 Intrinsic Isotropic Near-Zero Thermal Expansion in
 Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38435
_journal_page_last               38440
_journal_paper_doi               10.1021/acsami.0c12351
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety
;
B6 O12 Se Zn4
;
_chemical_formula_sum            'B6 O12 Se Zn4'
_chemical_formula_weight         597.38
_chemical_name_mineral
;
;
_space_group_IT_number           217
_space_group_name_Hall           'I -4 2 3'
_space_group_name_H-M_alt        'I -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.68120(8)
_cell_length_b                   7.68120(8)
_cell_length_c                   7.68120(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    140
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.197(8)
_diffrn_ambient_temperature      140
_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    17.459
_exptl_crystal_density_diffrn    4.3765(4)
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90
_pd_meas_2theta_range_min        10
_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        5.58
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.37
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.21
_refine_ls_R_I_factor            1.69
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_140K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.197(13)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O12 Se Zn4
;
_cod_database_code               4517946
Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; ACS applied materials & interfaces 12 (2020) 38435–38440; doi:10.1021/acsami.0c12351

data_4517947
_publ_section_title
;
 Intrinsic Isotropic Near-Zero Thermal Expansion in
 Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38435
_journal_page_last               38440
_journal_paper_doi               10.1021/acsami.0c12351
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety
;
B6 O12 Se Zn4
;
_chemical_formula_sum            'B6 O12 Se Zn4'
_chemical_formula_weight         597.38
_chemical_name_mineral
;
;
_space_group_IT_number           217
_space_group_name_Hall           'I -4 2 3'
_space_group_name_H-M_alt        'I -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.68106(7)
_cell_length_b                   7.68106(7)
_cell_length_c                   7.68106(7)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    120
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.172(7)
_diffrn_ambient_temperature      120
_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    17.459
_exptl_crystal_density_diffrn    4.3768(5)
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90
_pd_meas_2theta_range_min        10
_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        5.62
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.40
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.22
_refine_ls_R_I_factor            1.76
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_120K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.173(13)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O12 Se Zn4
;
_cod_database_code               4517947
Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; ACS applied materials & interfaces 12 (2020) 38435–38440; doi:10.1021/acsami.0c12351

data_4517948
_publ_section_title
;
 Intrinsic Isotropic Near-Zero Thermal Expansion in
 Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38435
_journal_page_last               38440
_journal_paper_doi               10.1021/acsami.0c12351
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety
;
B6 O12 Se Zn4
;
_chemical_formula_sum            'B6 O12 Se Zn4'
_chemical_formula_weight         597.38
_chemical_name_mineral
;
;
_space_group_IT_number           217
_space_group_name_Hall           'I -4 2 3'
_space_group_name_H-M_alt        'I -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.68084(8)
_cell_length_b                   7.68084(8)
_cell_length_c                   7.68084(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    5
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.133(8)
_diffrn_ambient_temperature      5
_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    17.459
_exptl_crystal_density_diffrn    4.3783(3)
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90
_pd_meas_2theta_range_min        10
_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        5.94
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.61
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.38
_refine_ls_R_I_factor            2.05
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_5K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.134(14)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O12 Se Zn4
;
_cod_database_code               4517948