# generated using pymatgen data_Bi3Te2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37858042 _cell_length_b 4.37858042 _cell_length_c 24.58757500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000638 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi3Te2S _chemical_formula_sum 'Bi6 Te4 S2' _cell_volume 408.23756340 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 0.88340700 1.0 Bi Bi1 1 0.00000000 0.00000000 0.11659300 1.0 Bi Bi2 1 0.66666700 0.33333300 0.71253100 1.0 Bi Bi3 1 0.33333300 0.66666700 0.28746900 1.0 Bi Bi4 1 0.33333300 0.66666700 0.53519000 1.0 Bi Bi5 1 0.66666700 0.33333300 0.46481000 1.0 Te Te6 1 0.33333300 0.66666700 0.79661300 1.0 Te Te7 1 0.66666700 0.33333300 0.20338700 1.0 Te Te8 1 0.00000000 0.00000000 0.63926100 1.0 Te Te9 1 0.00000000 0.00000000 0.36073900 1.0 S S10 1 0.66666700 0.33333300 0.93330200 1.0 S S11 1 0.33333300 0.66666700 0.06669800 1.0