# generated using pymatgen data_BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44665846 _cell_length_b 4.44665937 _cell_length_c 25.16682432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001581 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiTe _chemical_formula_sum 'Bi6 Te6' _cell_volume 430.94973280 _cell_formula_units_Z 6 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 0.33333300 0.66666700 0.29057202 1.0 Bi Bi1 1 0.66666700 0.33333300 0.70942798 1.0 Bi Bi2 1 -0.00000000 0.00000000 0.87078411 1.0 Bi Bi3 1 0.00000000 -0.00000000 0.12921589 1.0 Bi Bi4 1 0.66666700 0.33333300 0.46711053 1.0 Bi Bi5 1 0.33333300 0.66666700 0.53288947 1.0 Te Te6 1 0.33333300 0.66666700 0.06212660 1.0 Te Te7 1 0.66666700 0.33333300 0.93787340 1.0 Te Te8 1 0.00000000 -0.00000000 0.64133715 1.0 Te Te9 1 -0.00000000 0.00000000 0.35866285 1.0 Te Te10 1 0.66666700 0.33333300 0.21043369 1.0 Te Te11 1 0.33333300 0.66666700 0.78956631 1.0