# generated using pymatgen data_SmTh7(Si3Pd)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19947126 _cell_length_b 8.19947167 _cell_length_c 8.58567601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.94803951 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTh7(Si3Pd)4 _chemical_formula_sum 'Sm1 Th7 Si12 Pd4' _cell_volume 500.15428987 _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 0.49986776 0.50013224 0.75000000 1.0 Th Th1 1 0.50010696 0.49989304 0.25000000 1.0 Th Th2 1 0.00021167 0.50012472 0.75000000 1.0 Th Th3 1 0.99979394 0.49989701 0.25000000 1.0 Th Th4 1 0.49987528 0.99978833 0.75000000 1.0 Th Th5 1 0.50010299 0.00020606 0.25000000 1.0 Th Th6 1 0.00000970 0.99999030 0.75000000 1.0 Th Th7 1 0.00000566 0.99999434 0.25000000 1.0 Si Si8 1 0.83415388 0.16584612 0.00009777 1.0 Si Si9 1 0.16585185 0.83414815 0.00066587 1.0 Si Si10 1 0.33222873 0.16607249 0.99888813 1.0 Si Si11 1 0.16585185 0.83414815 0.49933413 1.0 Si Si12 1 0.66779150 0.83393520 0.99948836 1.0 Si Si13 1 0.83415388 0.16584612 0.49990223 1.0 Si Si14 1 0.83392751 0.66777127 0.99888813 1.0 Si Si15 1 0.66779150 0.83393520 0.50051164 1.0 Si Si16 1 0.16606480 0.33220850 0.99948836 1.0 Si Si17 1 0.33222873 0.16607249 0.50111187 1.0 Si Si18 1 0.16606480 0.33220850 0.50051164 1.0 Si Si19 1 0.83392751 0.66777127 0.50111187 1.0 Pd Pd20 1 0.66637775 0.33362225 0.99865642 1.0 Pd Pd21 1 0.33361800 0.66638200 0.99905237 1.0 Pd Pd22 1 0.33361800 0.66638200 0.50094763 1.0 Pd Pd23 1 0.66637775 0.33362225 0.50134358 1.0