data_1530125
_publ_section_title
;
 Crystal structure of Cs Sb S2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              603
_journal_page_last               605
_journal_volume                  251
_journal_year                    1980
_chemical_formula_sum            'Cs S2 Sb'
_chemical_name_systematic        'Cs Sb S2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.44
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.059
_cell_length_b                   9.784
_cell_length_c                   7.715
_cell_volume                     522.253
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kanishcheva_DANKAS_1980_565.cif
_cod_data_source_block           Cs1S2Sb1
_cod_cif_authors_sg_Hall         '-P 2ybc (z,y,-x)'
_cod_original_cell_volume        522.2526
_cod_chemical_formula_sum_orig   'Cs1 S2 Sb1'
_cod_database_code               1530125
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S1 S-2 0.4553 0.25492 0.3115 1 0.0
Sb1 Sb+3 0.14947 0.1651 0.10134 1 0.0
S2 S-2 0.30223 0.43377 0.81179 1 0.0
Cs1 Cs+1 0.21232 0.57375 0.34437 1 0.0
