# generated using pymatgen data_Si2Bi14IrI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.57587100 _cell_length_b 10.57587100 _cell_length_c 20.74388700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Bi14IrI12 _chemical_formula_sum 'Si4 Bi28 Ir2 I24' _cell_volume 2320.18400050 _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 Si Si0 1 0.50000000 0.50000000 0.90813600 1.0 Si Si1 1 0.50000000 0.50000000 0.59186400 1.0 Si Si2 1 0.50000000 0.50000000 0.09186400 1.0 Si Si3 1 0.50000000 0.50000000 0.40813600 1.0 Bi Bi4 1 0.30446000 0.41534800 0.81938000 1.0 Bi Bi5 1 0.69554000 0.58465200 0.81938000 1.0 Bi Bi6 1 0.41534800 0.30446000 0.68062000 1.0 Bi Bi7 1 0.41534800 0.69554000 0.81938000 1.0 Bi Bi8 1 0.58465200 0.30446000 0.81938000 1.0 Bi Bi9 1 0.69554000 0.41534800 0.68062000 1.0 Bi Bi10 1 0.30446000 0.58465200 0.68062000 1.0 Bi Bi11 1 0.58465200 0.69554000 0.68062000 1.0 Bi Bi12 1 0.69554000 0.58465200 0.18062000 1.0 Bi Bi13 1 0.30446000 0.41534800 0.18062000 1.0 Bi Bi14 1 0.58465200 0.69554000 0.31938000 1.0 Bi Bi15 1 0.58465200 0.30446000 0.18062000 1.0 Bi Bi16 1 0.41534800 0.69554000 0.18062000 1.0 Bi Bi17 1 0.30446000 0.58465200 0.31938000 1.0 Bi Bi18 1 0.69554000 0.41534800 0.31938000 1.0 Bi Bi19 1 0.41534800 0.30446000 0.31938000 1.0 Bi Bi20 1 0.00000000 0.00000000 0.62971200 1.0 Bi Bi21 1 0.00000000 0.00000000 0.87028800 1.0 Bi Bi22 1 0.00000000 0.00000000 0.37028800 1.0 Bi Bi23 1 0.00000000 0.00000000 0.12971200 1.0 Bi Bi24 1 0.94074600 0.75095800 0.50000000 1.0 Bi Bi25 1 0.05925400 0.24904200 0.50000000 1.0 Bi Bi26 1 0.75095800 0.94074600 0.00000000 1.0 Bi Bi27 1 0.75095800 0.05925400 0.50000000 1.0 Bi Bi28 1 0.24904200 0.94074600 0.50000000 1.0 Bi Bi29 1 0.05925400 0.75095800 0.00000000 1.0 Bi Bi30 1 0.94074600 0.24904200 0.00000000 1.0 Bi Bi31 1 0.24904200 0.05925400 0.00000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir33 1 0.00000000 0.00000000 0.50000000 1.0 I I34 1 0.21539200 0.63038300 0.50000000 1.0 I I35 1 0.78460800 0.36961700 0.50000000 1.0 I I36 1 0.63038300 0.21539200 0.00000000 1.0 I I37 1 0.63038300 0.78460800 0.50000000 1.0 I I38 1 0.36961700 0.21539200 0.50000000 1.0 I I39 1 0.78460800 0.63038300 0.00000000 1.0 I I40 1 0.21539200 0.36961700 0.00000000 1.0 I I41 1 0.36961700 0.78460800 0.00000000 1.0 I I42 1 0.07021100 0.29563000 0.65282100 1.0 I I43 1 0.92978900 0.70437000 0.65282100 1.0 I I44 1 0.29563000 0.07021100 0.84717900 1.0 I I45 1 0.29563000 0.92978900 0.65282100 1.0 I I46 1 0.70437000 0.07021100 0.65282100 1.0 I I47 1 0.92978900 0.29563000 0.84717900 1.0 I I48 1 0.07021100 0.70437000 0.84717900 1.0 I I49 1 0.70437000 0.92978900 0.84717900 1.0 I I50 1 0.92978900 0.70437000 0.34717900 1.0 I I51 1 0.07021100 0.29563000 0.34717900 1.0 I I52 1 0.70437000 0.92978900 0.15282100 1.0 I I53 1 0.70437000 0.07021100 0.34717900 1.0 I I54 1 0.29563000 0.92978900 0.34717900 1.0 I I55 1 0.07021100 0.70437000 0.15282100 1.0 I I56 1 0.92978900 0.29563000 0.15282100 1.0 I I57 1 0.29563000 0.07021100 0.15282100 1.0