# generated using pymatgen data_RbBi3S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17759600 _cell_length_b 13.13753000 _cell_length_c 18.70990400 _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 1026.86113908 _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 0.50000000 0.91977100 0.38482700 1.0 Rb Rb1 1 0.50000000 0.08022900 0.61517300 1.0 Rb Rb2 1 0.00000000 0.41977100 0.11517300 1.0 Rb Rb3 1 0.00000000 0.58022900 0.88482700 1.0 Bi Bi4 1 0.50000000 0.55524600 0.34606600 1.0 Bi Bi5 1 0.50000000 0.44475400 0.65393400 1.0 Bi Bi6 1 0.00000000 0.05524600 0.15393400 1.0 Bi Bi7 1 0.00000000 0.94475400 0.84606600 1.0 Bi Bi8 1 0.50000000 0.76805800 0.69395800 1.0 Bi Bi9 1 0.50000000 0.23194200 0.30604200 1.0 Bi Bi10 1 0.00000000 0.26805800 0.80604200 1.0 Bi Bi11 1 0.00000000 0.73194200 0.19395800 1.0 Bi Bi12 1 0.50000000 0.83908800 0.02882200 1.0 Bi Bi13 1 0.50000000 0.16091200 0.97117800 1.0 Bi Bi14 1 0.00000000 0.33908800 0.47117800 1.0 Bi Bi15 1 0.00000000 0.66091200 0.52882200 1.0 S S16 1 0.50000000 0.50000000 0.50000000 1.0 S S17 1 0.00000000 0.00000000 0.00000000 1.0 S S18 1 0.00000000 0.00000000 0.50000000 1.0 S S19 1 0.50000000 0.50000000 0.00000000 1.0 S S20 1 0.50000000 0.20406800 0.44655000 1.0 S S21 1 0.50000000 0.79593200 0.55345000 1.0 S S22 1 0.00000000 0.70406800 0.05345000 1.0 S S23 1 0.00000000 0.29593200 0.94655000 1.0 S S24 1 0.50000000 0.81128600 0.86877700 1.0 S S25 1 0.50000000 0.18871400 0.13122300 1.0 S S26 1 0.00000000 0.31128600 0.63122300 1.0 S S27 1 0.00000000 0.68871400 0.36877700 1.0 S S28 1 0.50000000 0.89324900 0.17242200 1.0 S S29 1 0.50000000 0.10675100 0.82757800 1.0 S S30 1 0.00000000 0.39324900 0.32757800 1.0 S S31 1 0.00000000 0.60675100 0.67242200 1.0 S S32 1 0.50000000 0.59595700 0.20371400 1.0 S S33 1 0.50000000 0.40404300 0.79628600 1.0 S S34 1 0.00000000 0.09595700 0.29628600 1.0 S S35 1 0.00000000 0.90404300 0.70371400 1.0