# generated using pymatgen data_Sm5Th3(Si3Pd)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19732638 _cell_length_b 8.18243600 _cell_length_c 8.48541374 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.06022868 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm5Th3(Si3Pd)4 _chemical_formula_sum 'Sm5 Th3 Si12 Pd4' _cell_volume 492.60022235 _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 Sm Sm0 1 0.49988683 0.50006146 0.75000000 1.0 Sm Sm1 1 0.50003872 0.49987130 0.25000000 1.0 Sm Sm2 1 0.00017463 0.50006146 0.75000000 1.0 Sm Sm3 1 0.99983358 0.49987230 0.25000000 1.0 Sm Sm4 1 0.49992275 0.99984649 0.75000000 1.0 Th Th5 1 0.50007559 0.00015119 0.25000000 1.0 Th Th6 1 0.00001018 0.00001936 0.75000000 1.0 Th Th7 1 0.00000326 0.00000652 0.25000000 1.0 Si Si8 1 0.83475506 0.16652565 0.99962389 1.0 Si Si9 1 0.16522901 0.83347043 0.99996628 1.0 Si Si10 1 0.33177059 0.16652565 0.99962389 1.0 Si Si11 1 0.16522901 0.83347043 0.50003372 1.0 Si Si12 1 0.66824142 0.83347043 0.99996628 1.0 Si Si13 1 0.83475506 0.16652565 0.50037611 1.0 Si Si14 1 0.83317203 0.66634506 0.00046590 1.0 Si Si15 1 0.66824142 0.83347043 0.50003372 1.0 Si Si16 1 0.16682402 0.33364903 0.00084544 1.0 Si Si17 1 0.33177059 0.16652565 0.50037611 1.0 Si Si18 1 0.16682402 0.33364903 0.49915456 1.0 Si Si19 1 0.83317203 0.66634506 0.49953410 1.0 Pd Pd20 1 0.66606729 0.33213358 0.99910726 1.0 Pd Pd21 1 0.33396581 0.66793163 0.99949811 1.0 Pd Pd22 1 0.33396581 0.66793163 0.50050189 1.0 Pd Pd23 1 0.66606729 0.33213358 0.50089274 1.0