# generated using pymatgen data_Sm2(IrRh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29466031 _cell_length_b 5.29466049 _cell_length_c 17.51150803 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999890 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2(IrRh)3 _chemical_formula_sum 'Sm6 Ir9 Rh9' _cell_volume 425.13846796 _cell_formula_units_Z 3 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 0.33333300 0.66666700 0.95895921 1.0 Sm Sm1 1 0.66666700 0.33333300 0.04263474 1.0 Sm Sm2 1 0.66666700 0.33333300 0.45869725 1.0 Sm Sm3 1 0.33333300 0.66666700 0.54120632 1.0 Sm Sm4 1 0.33333300 0.66666700 0.75010930 1.0 Sm Sm5 1 0.66666700 0.33333300 0.25142889 1.0 Ir Ir6 1 0.16700103 0.83299897 0.37155101 1.0 Ir Ir7 1 0.16700103 0.33400106 0.37155101 1.0 Ir Ir8 1 0.66599894 0.83299897 0.37155101 1.0 Ir Ir9 1 0.83285182 0.16714818 0.62762407 1.0 Ir Ir10 1 0.83285182 0.66570363 0.62762407 1.0 Ir Ir11 1 0.33429637 0.16714818 0.62762407 1.0 Ir Ir12 1 0.83272844 0.16727156 0.87295953 1.0 Ir Ir13 1 0.83272844 0.66545788 0.87295953 1.0 Ir Ir14 1 0.33454212 0.16727156 0.87295953 1.0 Rh Rh15 1 0.16669076 0.83330924 0.12697377 1.0 Rh Rh16 1 0.16669076 0.33338052 0.12697377 1.0 Rh Rh17 1 0.66661948 0.83330924 0.12697377 1.0 Rh Rh18 1 0.33333300 0.66666700 0.24937797 1.0 Rh Rh19 1 0.66666700 0.33333300 0.75030793 1.0 Rh Rh20 1 0.00000000 0.00000000 0.24951853 1.0 Rh Rh21 1 0.00000000 0.00000000 0.75027120 1.0 Rh Rh22 1 0.00000000 0.00000000 0.49983689 1.0 Rh Rh23 1 0.00000000 0.00000000 0.00032664 1.0