# generated using pymatgen data_Bi13Pt3I7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33255600 _cell_length_b 9.34172859 _cell_length_c 21.79007490 _cell_angle_alpha 83.87192624 _cell_angle_beta 84.56738917 _cell_angle_gamma 60.03188077 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi13Pt3I7 _chemical_formula_sum 'Bi26 Pt6 I14' _cell_volume 1634.43188499 _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 0.26584400 0.75984700 0.62395500 1.0 Bi Bi1 1 0.73415600 0.24015300 0.37604500 1.0 Bi Bi2 1 0.92547000 0.41554500 0.62795400 1.0 Bi Bi3 1 0.07453000 0.58445500 0.37204600 1.0 Bi Bi4 1 0.48638200 0.19861700 0.62454600 1.0 Bi Bi5 1 0.51361800 0.80138300 0.37545400 1.0 Bi Bi6 1 0.09602300 0.17031900 0.78157800 1.0 Bi Bi7 1 0.90397700 0.82968100 0.21842200 1.0 Bi Bi8 1 0.48828700 0.54218200 0.62773800 1.0 Bi Bi9 1 0.51171300 0.45781800 0.37226200 1.0 Bi Bi10 1 0.21936500 0.73130100 0.78202300 1.0 Bi Bi11 1 0.78063500 0.26869900 0.21797700 1.0 Bi Bi12 1 0.92968400 0.76002900 0.62353000 1.0 Bi Bi13 1 0.07031600 0.23997100 0.37647000 1.0 Bi Bi14 1 0.43557800 0.51029600 0.78417700 1.0 Bi Bi15 1 0.56442200 0.48970400 0.21582300 1.0 Bi Bi16 1 0.14935700 0.20004700 0.62484300 1.0 Bi Bi17 1 0.85064300 0.79995300 0.37515700 1.0 Bi Bi18 1 0.87825300 0.73375300 0.77988900 1.0 Bi Bi19 1 0.12174700 0.26624700 0.22011100 1.0 Bi Bi20 1 0.43913900 0.17114700 0.78001300 1.0 Bi Bi21 1 0.56086100 0.82885300 0.21998700 1.0 Bi Bi22 1 0.88070400 0.39301200 0.78379800 1.0 Bi Bi23 1 0.11929600 0.60698800 0.21620200 1.0 Bi Bi24 1 0.73930900 0.76377600 0.99633500 1.0 Bi Bi25 1 0.26069100 0.23622400 0.00366500 1.0 Pt Pt26 1 0.18266600 0.96466700 0.70356200 1.0 Pt Pt27 1 0.81733400 0.03533300 0.29643800 1.0 Pt Pt28 1 0.68298500 0.46548800 0.70472300 1.0 Pt Pt29 1 0.31701500 0.53451200 0.29527700 1.0 Pt Pt30 1 0.18298800 0.46571200 0.70523900 1.0 Pt Pt31 1 0.81701200 0.53428800 0.29476100 1.0 I I32 1 0.74977300 0.49865100 0.50071000 1.0 I I33 1 0.25022700 0.50134900 0.49929000 1.0 I I34 1 0.74664700 0.99630700 0.50971900 1.0 I I35 1 0.25335300 0.00369300 0.49028100 1.0 I I36 1 0.12529800 0.41176300 0.91904700 1.0 I I37 1 0.87470200 0.58823700 0.08095300 1.0 I I38 1 0.68053600 0.96607500 0.71118600 1.0 I I39 1 0.31946400 0.03392500 0.28881400 1.0 I I40 1 0.10964500 0.92733800 0.92497100 1.0 I I41 1 0.89035500 0.07266200 0.07502900 1.0 I I42 1 0.60663800 0.42594500 0.92518100 1.0 I I43 1 0.39336200 0.57405500 0.07481900 1.0 I I44 1 0.61499200 0.91765100 0.91222300 1.0 I I45 1 0.38500800 0.08234900 0.08777700 1.0