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_4517935
_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 O13 Zn4
;
_chemical_formula_sum            'B6 O13 Zn4'
_chemical_formula_weight         534.42
_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                   7.47412(11)
_cell_length_b                   7.47412(11)
_cell_length_c                   7.47412(11)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    220
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     417.523(11)
_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    14.073
_exptl_crystal_density_diffrn    4.25131(18)
_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        4.55
_pd_proc_ls_prof_wR_expected     1.24
_pd_proc_ls_prof_wR_factor       7.12
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   5.72
_refine_ls_R_I_factor            1.07
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBO_220K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        417.523(18)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O13 Zn4
;
_cod_database_code               4517935
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_4517936
_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 O13 Zn4
;
_chemical_formula_sum            'B6 O13 Zn4'
_chemical_formula_weight         534.42
_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                   7.47373(14)
_cell_length_b                   7.47373(14)
_cell_length_c                   7.47373(14)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    200
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     417.457(14)
_diffrn_ambient_temperature      200
_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    14.073
_exptl_crystal_density_diffrn    4.2520(2)
_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        4.60
_pd_proc_ls_prof_wR_expected     1.24
_pd_proc_ls_prof_wR_factor       7.18
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   5.77
_refine_ls_R_I_factor            1.04
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBO_200K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        417.46(2)
_cod_original_sg_symbol_Hall
;
I -4 2 3
;
_cod_original_sg_symbol_H-M      I-43m
_cod_original_formula_sum
;
B6 O13 Zn4
;
_cod_database_code               4517936
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_4517937
_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                   7.68474(8)
_cell_length_b                   7.68474(8)
_cell_length_c                   7.68474(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    300
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.824(8)
_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    17.459
_exptl_crystal_density_diffrn    4.3703(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        5.63
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.30
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.17
_refine_ls_R_I_factor            1.54
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_300K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.824(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               4517937
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_4517938
_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                   7.68392(8)
_cell_length_b                   7.68392(8)
_cell_length_c                   7.68392(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    280
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.679(8)
_diffrn_ambient_temperature      280
_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    4.3719(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        5.78
_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   7.22
_refine_ls_R_I_factor            1.58
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_280K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.680(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               4517938
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_4517939
_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                   7.68194(8)
_cell_length_b                   7.68194(8)
_cell_length_c                   7.68194(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    200
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.328(8)
_diffrn_ambient_temperature      200
_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    4.3752(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       9.35
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.19
_refine_ls_R_I_factor            1.59
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_200K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.327(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               4517939
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_4517940
_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                   7.68083(7)
_cell_length_b                   7.68083(7)
_cell_length_c                   7.68083(7)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    40
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.132(7)
_diffrn_ambient_temperature      40
_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    4.3781(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        5.62
_pd_proc_ls_prof_wR_expected     1.30
_pd_proc_ls_prof_wR_factor       9.51
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.30
_refine_ls_R_I_factor            1.79
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_40K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.132(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               4517940
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_4517941
_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                   7.68092(8)
_cell_length_b                   7.68092(8)
_cell_length_c                   7.68092(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    100
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     453.148(8)
_diffrn_ambient_temperature      100
_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    4.3779(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       9.44
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   7.26
_refine_ls_R_I_factor            1.67
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            ZBOSe_100K.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 4517906--4517952.cif.'
_cod_original_cell_volume        453.147(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               4517941