# generated using pymatgen data_Sc20Sn5Bi3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50263855 _cell_length_b 8.56390190 _cell_length_c 11.27476691 _cell_angle_alpha 89.99654908 _cell_angle_beta 89.91188042 _cell_angle_gamma 89.92754376 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc20Sn5Bi3Se4 _chemical_formula_sum 'Sc20 Sn5 Bi3 Se4' _cell_volume 724.42331373 _cell_formula_units_Z 1 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 Sc Sc0 1 0.19371277 0.05520310 0.93843966 1.0 Sc Sc1 1 0.31237762 0.05447247 0.43327470 1.0 Sc Sc2 1 0.31103549 0.44278737 0.43890330 1.0 Sc Sc3 1 0.35124827 0.74507378 0.71234494 1.0 Sc Sc4 1 0.47242060 0.75342090 0.99991088 1.0 Sc Sc5 1 0.14090698 0.24168189 0.21038452 1.0 Sc Sc6 1 0.80996661 0.94651146 0.06521703 1.0 Sc Sc7 1 0.64010200 0.75796245 0.28972274 1.0 Sc Sc8 1 0.03049791 0.74869602 0.50278957 1.0 Sc Sc9 1 0.68789058 0.94407667 0.56398310 1.0 Sc Sc10 1 0.18896999 0.44528760 0.93286547 1.0 Sc Sc11 1 0.36304680 0.25382636 0.71262599 1.0 Sc Sc12 1 0.14932981 0.76029940 0.20759199 1.0 Sc Sc13 1 0.97060850 0.25036687 0.49781504 1.0 Sc Sc14 1 0.68837275 0.55435990 0.56753677 1.0 Sc Sc15 1 0.64976092 0.24068779 0.29107722 1.0 Sc Sc16 1 0.81081356 0.55712016 0.06033754 1.0 Sc Sc17 1 0.53037007 0.24713252 0.99575303 1.0 Sc Sc18 1 0.84405309 0.25486983 0.78990264 1.0 Sc Sc19 1 0.85370780 0.74603295 0.78922396 1.0 Sn Sn20 1 0.07268367 0.49064863 0.67233063 1.0 Sn Sn21 1 0.57239809 0.50825756 0.82922563 1.0 Sn Sn22 1 0.92687451 0.99120426 0.32946360 1.0 Sn Sn23 1 0.42723558 0.00837159 0.17172453 1.0 Sn Sn24 1 0.57332607 0.99153978 0.82505423 1.0 Bi Bi25 1 0.42570039 0.49161615 0.17479518 1.0 Bi Bi26 1 0.07403840 0.00909583 0.67542228 1.0 Bi Bi27 1 0.92557297 0.50929557 0.32350687 1.0 Se Se28 1 0.42130256 0.74874157 0.48077219 1.0 Se Se29 1 0.07825914 0.75068207 0.97710392 1.0 Se Se30 1 0.58009294 0.24968693 0.52136412 1.0 Se Se31 1 0.92332455 0.25098957 0.01953871 1.0