# generated using pymatgen data_Bi16Pt11I6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.16764500 _cell_length_b 14.16764500 _cell_length_c 9.42521000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi16Pt11I6 _chemical_formula_sum 'Bi32 Pt22 I12' _cell_volume 1891.84855533 _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 Bi Bi0 1 0.00000000 0.50000000 0.05372000 1.0 Bi Bi1 1 0.50000000 0.00000000 0.94628000 1.0 Bi Bi2 1 0.00000000 0.50000000 0.63804600 1.0 Bi Bi3 1 0.50000000 0.00000000 0.36195400 1.0 Bi Bi4 1 0.00000000 0.00000000 0.72311800 1.0 Bi Bi5 1 0.50000000 0.50000000 0.27688200 1.0 Bi Bi6 1 0.00000000 0.00000000 0.27688200 1.0 Bi Bi7 1 0.50000000 0.50000000 0.72311800 1.0 Bi Bi8 1 0.82567500 0.17440200 0.67597500 1.0 Bi Bi9 1 0.17432500 0.82559800 0.67597500 1.0 Bi Bi10 1 0.67432500 0.67440200 0.32402500 1.0 Bi Bi11 1 0.32567500 0.32559800 0.32402500 1.0 Bi Bi12 1 0.17440200 0.82567500 0.32402500 1.0 Bi Bi13 1 0.82559800 0.17432500 0.32402500 1.0 Bi Bi14 1 0.67440200 0.67432500 0.67597500 1.0 Bi Bi15 1 0.32559800 0.32567500 0.67597500 1.0 Bi Bi16 1 0.77543100 0.42964800 0.70172600 1.0 Bi Bi17 1 0.22456900 0.57035200 0.70172600 1.0 Bi Bi18 1 0.72456900 0.92964800 0.29827400 1.0 Bi Bi19 1 0.27543100 0.07035200 0.29827400 1.0 Bi Bi20 1 0.42964800 0.77543100 0.29827400 1.0 Bi Bi21 1 0.57035200 0.22456900 0.29827400 1.0 Bi Bi22 1 0.92964800 0.72456900 0.70172600 1.0 Bi Bi23 1 0.07035200 0.27543100 0.70172600 1.0 Bi Bi24 1 0.80086400 0.43920300 0.31518800 1.0 Bi Bi25 1 0.19913600 0.56079700 0.31518800 1.0 Bi Bi26 1 0.69913600 0.93920300 0.68481200 1.0 Bi Bi27 1 0.30086400 0.06079700 0.68481200 1.0 Bi Bi28 1 0.43920300 0.80086400 0.68481200 1.0 Bi Bi29 1 0.56079700 0.19913600 0.68481200 1.0 Bi Bi30 1 0.93920300 0.69913600 0.31518800 1.0 Bi Bi31 1 0.06079700 0.30086400 0.31518800 1.0 Pt Pt32 1 0.00000000 0.50000000 0.34892300 1.0 Pt Pt33 1 0.50000000 0.00000000 0.65107700 1.0 Pt Pt34 1 0.69763700 0.30236300 0.50000000 1.0 Pt Pt35 1 0.30236300 0.69763700 0.50000000 1.0 Pt Pt36 1 0.80236300 0.80236300 0.50000000 1.0 Pt Pt37 1 0.19763700 0.19763700 0.50000000 1.0 Pt Pt38 1 0.90532200 0.32261000 0.50731800 1.0 Pt Pt39 1 0.09467800 0.67739000 0.50731800 1.0 Pt Pt40 1 0.59467800 0.82261000 0.49268200 1.0 Pt Pt41 1 0.40532200 0.17739000 0.49268200 1.0 Pt Pt42 1 0.32261000 0.90532200 0.49268200 1.0 Pt Pt43 1 0.67739000 0.09467800 0.49268200 1.0 Pt Pt44 1 0.82261000 0.59467800 0.50731800 1.0 Pt Pt45 1 0.17739000 0.40532200 0.50731800 1.0 Pt Pt46 1 0.00297500 0.14157800 0.50268900 1.0 Pt Pt47 1 0.99702500 0.85842200 0.50268900 1.0 Pt Pt48 1 0.49702500 0.64157800 0.49731100 1.0 Pt Pt49 1 0.50297500 0.35842200 0.49731100 1.0 Pt Pt50 1 0.14157800 0.00297500 0.49731100 1.0 Pt Pt51 1 0.85842200 0.99702500 0.49731100 1.0 Pt Pt52 1 0.64157800 0.49702500 0.50268900 1.0 Pt Pt53 1 0.35842200 0.50297500 0.50268900 1.0 I I54 1 0.61656000 0.38344000 0.00000000 1.0 I I55 1 0.38344000 0.61656000 0.00000000 1.0 I I56 1 0.88344000 0.88344000 0.00000000 1.0 I I57 1 0.11656000 0.11656000 0.00000000 1.0 I I58 1 0.19548200 0.39783500 0.00786700 1.0 I I59 1 0.80451800 0.60216500 0.00786700 1.0 I I60 1 0.30451800 0.89783500 0.99213300 1.0 I I61 1 0.69548200 0.10216500 0.99213300 1.0 I I62 1 0.39783500 0.19548200 0.99213300 1.0 I I63 1 0.60216500 0.80451800 0.99213300 1.0 I I64 1 0.89783500 0.30451800 0.00786700 1.0 I I65 1 0.10216500 0.69548200 0.00786700 1.0