# generated using pymatgen data_Sm5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48148756 _cell_length_b 11.07656112 _cell_length_c 11.07702177 _cell_angle_alpha 90.00000885 _cell_angle_beta 90.00035795 _cell_angle_gamma 90.00002938 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm5Ir3 _chemical_formula_sum 'Sm20 Ir12' _cell_volume 795.24811676 _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 Sm Sm0 1 0.38645107 0.83993384 0.54245651 1.0 Sm Sm1 1 0.88644839 0.66006710 0.54246056 1.0 Sm Sm2 1 0.88645455 0.83993166 0.95753547 1.0 Sm Sm3 1 0.38645223 0.66007000 0.95753155 1.0 Sm Sm4 1 0.88647881 0.54243839 0.83989680 1.0 Sm Sm5 1 0.38647680 0.95756578 0.83990174 1.0 Sm Sm6 1 0.38647938 0.54243551 0.66010086 1.0 Sm Sm7 1 0.88647701 0.95756811 0.66009574 1.0 Sm Sm8 1 0.61354627 0.16013401 0.45762342 1.0 Sm Sm9 1 0.11354769 0.33986249 0.45761935 1.0 Sm Sm10 1 0.11354174 0.16013983 0.04238563 1.0 Sm Sm11 1 0.61354311 0.33985904 0.04238837 1.0 Sm Sm12 1 0.11356719 0.45758712 0.16010907 1.0 Sm Sm13 1 0.61356749 0.04240813 0.16010437 1.0 Sm Sm14 1 0.61356885 0.45759303 0.33989098 1.0 Sm Sm15 1 0.11356980 0.04240442 0.33989489 1.0 Sm Sm16 1 0.50002758 0.75000092 0.24999747 1.0 Sm Sm17 1 0.00002762 0.75000050 0.24999968 1.0 Sm Sm18 1 0.00003213 0.24999860 0.74999859 1.0 Sm Sm19 1 0.50003191 0.24999865 0.75000076 1.0 Ir Ir20 1 0.24996952 0.90362499 0.09631250 1.0 Ir Ir21 1 0.74996848 0.59637304 0.09630643 1.0 Ir Ir22 1 0.74996802 0.90362073 0.40368134 1.0 Ir Ir23 1 0.24996688 0.59637575 0.40368610 1.0 Ir Ir24 1 0.74997682 0.09638190 0.90357454 1.0 Ir Ir25 1 0.24997841 0.40362098 0.90357805 1.0 Ir Ir26 1 0.24997892 0.09637762 0.59643390 1.0 Ir Ir27 1 0.74997927 0.40362355 0.59642923 1.0 Ir Ir28 1 0.12755666 0.75001049 0.74999002 1.0 Ir Ir29 1 0.62755720 0.75001034 0.74998903 1.0 Ir Ir30 1 0.87240140 0.24998983 0.25001262 1.0 Ir Ir31 1 0.37240880 0.24999264 0.25001646 1.0