# generated using pymatgen data_RbBi3S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22804800 _cell_length_b 12.72809200 _cell_length_c 19.05364300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbBi3S5 _chemical_formula_sum 'Rb4 Bi12 S20' _cell_volume 1025.37149175 _cell_formula_units_Z 4 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 Rb Rb0 1 0.00000000 0.39802200 0.14889400 1.0 Rb Rb1 1 0.00000000 0.60197800 0.85110600 1.0 Rb Rb2 1 0.50000000 0.89802200 0.35110600 1.0 Rb Rb3 1 0.50000000 0.10197800 0.64889400 1.0 Bi Bi4 1 0.00000000 0.05093500 0.15068600 1.0 Bi Bi5 1 0.00000000 0.94906500 0.84931400 1.0 Bi Bi6 1 0.50000000 0.55093500 0.34931400 1.0 Bi Bi7 1 0.50000000 0.44906500 0.65068600 1.0 Bi Bi8 1 0.00000000 0.27402500 0.81439600 1.0 Bi Bi9 1 0.00000000 0.72597500 0.18560400 1.0 Bi Bi10 1 0.50000000 0.77402500 0.68560400 1.0 Bi Bi11 1 0.50000000 0.22597500 0.31439600 1.0 Bi Bi12 1 0.00000000 0.33079900 0.47806800 1.0 Bi Bi13 1 0.00000000 0.66920100 0.52193200 1.0 Bi Bi14 1 0.50000000 0.83079900 0.02193200 1.0 Bi Bi15 1 0.50000000 0.16920100 0.97806800 1.0 S S16 1 0.00000000 0.67662700 0.04580900 1.0 S S17 1 0.00000000 0.32337300 0.95419100 1.0 S S18 1 0.50000000 0.17662700 0.45419100 1.0 S S19 1 0.50000000 0.82337300 0.54580900 1.0 S S20 1 0.00000000 0.30852700 0.62847000 1.0 S S21 1 0.00000000 0.69147300 0.37153000 1.0 S S22 1 0.50000000 0.80852700 0.87153000 1.0 S S23 1 0.50000000 0.19147300 0.12847000 1.0 S S24 1 0.00000000 0.38942900 0.33258600 1.0 S S25 1 0.00000000 0.61057100 0.66741400 1.0 S S26 1 0.50000000 0.88942900 0.16741400 1.0 S S27 1 0.50000000 0.11057100 0.83258600 1.0 S S28 1 0.00000000 0.08912400 0.29312300 1.0 S S29 1 0.00000000 0.91087600 0.70687700 1.0 S S30 1 0.50000000 0.58912400 0.20687700 1.0 S S31 1 0.50000000 0.41087600 0.79312300 1.0 S S32 1 0.00000000 0.00000000 0.00000000 1.0 S S33 1 0.50000000 0.50000000 0.50000000 1.0 S S34 1 0.50000000 0.00000000 0.50000000 1.0 S S35 1 0.00000000 0.50000000 0.00000000 1.0