# generated using pymatgen data_Th2Sc3SiSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82764233 _cell_length_b 7.75208961 _cell_length_c 14.72016630 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Sc3SiSb3 _chemical_formula_sum 'Th8 Sc12 Si4 Sb12' _cell_volume 893.22829977 _cell_formula_units_Z 4 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 Th Th0 1 0.01670353 0.68598942 0.60268788 1.0 Th Th1 1 0.98329647 0.31401058 0.39731212 1.0 Th Th2 1 0.48329647 0.18598942 0.39731212 1.0 Th Th3 1 0.98329647 0.31401058 0.10268788 1.0 Th Th4 1 0.51670353 0.81401058 0.60268788 1.0 Th Th5 1 0.01670353 0.68598942 0.89731212 1.0 Th Th6 1 0.51670353 0.81401058 0.89731212 1.0 Th Th7 1 0.48329647 0.18598942 0.10268788 1.0 Sc Sc8 1 0.17416394 0.98816759 0.75000000 1.0 Sc Sc9 1 0.82583606 0.01183241 0.25000000 1.0 Sc Sc10 1 0.32583606 0.48816759 0.25000000 1.0 Sc Sc11 1 0.67416394 0.51183241 0.75000000 1.0 Sc Sc12 1 0.34898597 0.36253522 0.62850748 1.0 Sc Sc13 1 0.65101403 0.63746478 0.37149252 1.0 Sc Sc14 1 0.15101403 0.86253522 0.37149252 1.0 Sc Sc15 1 0.65101403 0.63746478 0.12850748 1.0 Sc Sc16 1 0.84898597 0.13746478 0.62850748 1.0 Sc Sc17 1 0.34898597 0.36253522 0.87149252 1.0 Sc Sc18 1 0.84898597 0.13746478 0.87149252 1.0 Sc Sc19 1 0.15101403 0.86253522 0.12850748 1.0 Si Si20 1 0.32090864 0.65070815 0.75000000 1.0 Si Si21 1 0.67909136 0.34929185 0.25000000 1.0 Si Si22 1 0.17909136 0.15070815 0.25000000 1.0 Si Si23 1 0.82090864 0.84929185 0.75000000 1.0 Sb Sb24 1 0.04205819 0.36723281 0.75000000 1.0 Sb Sb25 1 0.95794181 0.63276719 0.25000000 1.0 Sb Sb26 1 0.45794181 0.86723281 0.25000000 1.0 Sb Sb27 1 0.54205819 0.13276719 0.75000000 1.0 Sb Sb28 1 0.19851113 0.05561396 0.54697361 1.0 Sb Sb29 1 0.80148887 0.94438604 0.45302639 1.0 Sb Sb30 1 0.30148887 0.55561396 0.45302639 1.0 Sb Sb31 1 0.80148887 0.94438604 0.04697361 1.0 Sb Sb32 1 0.69851113 0.44438604 0.54697361 1.0 Sb Sb33 1 0.19851113 0.05561396 0.95302639 1.0 Sb Sb34 1 0.69851113 0.44438604 0.95302639 1.0 Sb Sb35 1 0.30148887 0.55561396 0.04697361 1.0