# generated using pymatgen data_Ta3(BiS3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75018869 _cell_length_b 5.75018861 _cell_length_c 17.43846724 _cell_angle_alpha 89.99997953 _cell_angle_beta 90.00001110 _cell_angle_gamma 119.99998552 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3(BiS3)2 _chemical_formula_sum 'Ta6 Bi4 S12' _cell_volume 499.34785797 _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 Ta Ta0 1 0.67364290 0.67364290 0.75003147 1.0 Ta Ta1 1 0.32635761 0.00000009 0.75003150 1.0 Ta Ta2 1 0.00000015 0.32635797 0.75003143 1.0 Ta Ta3 1 0.32637068 0.32637055 0.24996831 1.0 Ta Ta4 1 0.67362920 0.99999957 0.24996833 1.0 Ta Ta5 1 -0.00000017 0.67362961 0.24996833 1.0 Bi Bi6 1 0.66666666 0.33333312 0.00001206 1.0 Bi Bi7 1 0.33333326 0.66666676 0.00001202 1.0 Bi Bi8 1 0.33333304 0.66666669 0.49998841 1.0 Bi Bi9 1 0.66666666 0.33333310 0.49998837 1.0 S S10 1 0.00000016 0.00000058 0.84136147 1.0 S S11 1 0.00000019 0.00000041 0.15863656 1.0 S S12 1 0.00000007 0.00000050 0.34131381 1.0 S S13 1 0.00000015 0.00000050 0.65868974 1.0 S S14 1 0.66666620 0.33333319 0.83804706 1.0 S S15 1 0.33333374 0.66666676 0.83804690 1.0 S S16 1 0.33333272 0.66666635 0.16194608 1.0 S S17 1 0.66666647 0.33333305 0.16194595 1.0 S S18 1 0.33333303 0.66666673 0.33800441 1.0 S S19 1 0.66666673 0.33333315 0.33800435 1.0 S S20 1 0.66666614 0.33333308 0.66200173 1.0 S S21 1 0.33333340 0.66666636 0.66200170 1.0