# generated using pymatgen data_In3Bi7(Pb2S9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03488900 _cell_length_b 19.03414800 _cell_length_c 21.15074324 _cell_angle_alpha 83.30540272 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3Bi7(Pb2S9)2 _chemical_formula_sum 'In6 Bi14 Pb8 S36' _cell_volume 1613.31567058 _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 In In0 1 0.25000000 0.37282100 0.72009500 1.0 In In1 1 0.25000000 0.55208100 0.43374500 1.0 In In2 1 0.75000000 0.28175200 0.86299300 1.0 In In3 1 0.75000000 0.44791900 0.56625500 1.0 In In4 1 0.75000000 0.62717900 0.27990500 1.0 In In5 1 0.25000000 0.71824800 0.13700700 1.0 Bi Bi6 1 0.75000000 0.04313800 0.57881700 1.0 Bi Bi7 1 0.25000000 0.06790500 0.23632100 1.0 Bi Bi8 1 0.25000000 0.04304200 0.91408000 1.0 Bi Bi9 1 0.25000000 0.23258200 0.53772000 1.0 Bi Bi10 1 0.25000000 0.95686200 0.42118300 1.0 Bi Bi11 1 0.25000000 0.40166300 0.00353200 1.0 Bi Bi12 1 0.75000000 0.15433300 0.38907300 1.0 Bi Bi13 1 0.75000000 0.93209500 0.76367900 1.0 Bi Bi14 1 0.75000000 0.26511400 0.20542500 1.0 Bi Bi15 1 0.25000000 0.84566700 0.61092700 1.0 Bi Bi16 1 0.75000000 0.76741800 0.46228000 1.0 Bi Bi17 1 0.25000000 0.73488600 0.79457500 1.0 Bi Bi18 1 0.75000000 0.95695800 0.08592000 1.0 Bi Bi19 1 0.75000000 0.59833700 0.99646800 1.0 Pb Pb20 1 0.25000000 0.37455900 0.35791700 1.0 Pb Pb21 1 0.75000000 0.84525200 0.25590300 1.0 Pb Pb22 1 0.75000000 0.80841900 0.96295100 1.0 Pb Pb23 1 0.25000000 0.48488700 0.18115200 1.0 Pb Pb24 1 0.75000000 0.62544100 0.64208300 1.0 Pb Pb25 1 0.25000000 0.19158100 0.03704900 1.0 Pb Pb26 1 0.25000000 0.15474800 0.74409700 1.0 Pb Pb27 1 0.75000000 0.51511300 0.81884800 1.0 S S28 1 0.75000000 0.64363600 0.40644900 1.0 S S29 1 0.75000000 0.00940200 0.33359500 1.0 S S30 1 0.75000000 0.90464600 0.51767300 1.0 S S31 1 0.25000000 0.82842600 0.38071700 1.0 S S32 1 0.75000000 0.27660900 0.74171000 1.0 S S33 1 0.25000000 0.87899800 0.84518700 1.0 S S34 1 0.25000000 0.72339100 0.25829000 1.0 S S35 1 0.75000000 0.12100200 0.15481300 1.0 S S36 1 0.25000000 0.53630100 0.30693100 1.0 S S37 1 0.25000000 0.19019000 0.87422600 1.0 S S38 1 0.25000000 0.70764600 0.01674600 1.0 S S39 1 0.75000000 0.61413600 0.15720400 1.0 S S40 1 0.75000000 0.78929300 0.69628400 1.0 S S41 1 0.25000000 0.94300600 0.19067300 1.0 S S42 1 0.25000000 0.72562700 0.55562000 1.0 S S43 1 0.75000000 0.29235400 0.98325400 1.0 S S44 1 0.25000000 0.21070700 0.30371600 1.0 S S45 1 0.75000000 0.46369900 0.69306900 1.0 S S46 1 0.75000000 0.17157400 0.61928300 1.0 S S47 1 0.25000000 0.53694900 0.93251600 1.0 S S48 1 0.75000000 0.80981000 0.12577400 1.0 S S49 1 0.25000000 0.54402700 0.55719400 1.0 S S50 1 0.75000000 0.46305100 0.06748400 1.0 S S51 1 0.75000000 0.39160400 0.25447700 1.0 S S52 1 0.75000000 0.45597300 0.44280600 1.0 S S53 1 0.75000000 0.69504400 0.87758700 1.0 S S54 1 0.75000000 0.05699400 0.80932700 1.0 S S55 1 0.25000000 0.30495600 0.12241300 1.0 S S56 1 0.25000000 0.60839600 0.74552300 1.0 S S57 1 0.25000000 0.35636400 0.59355100 1.0 S S58 1 0.25000000 0.38586400 0.84279600 1.0 S S59 1 0.75000000 0.07935200 0.99225100 1.0 S S60 1 0.25000000 0.99059800 0.66640500 1.0 S S61 1 0.75000000 0.27437300 0.44438000 1.0 S S62 1 0.25000000 0.09535400 0.48232700 1.0 S S63 1 0.25000000 0.92064800 0.00774900 1.0