# generated using pymatgen data_Sm2Si5Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.75718107 _cell_length_b 10.75718107 _cell_length_c 5.71150246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Si5Ru3 _chemical_formula_sum 'Sm8 Si20 Ru12' _cell_volume 660.91761359 _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 0.76533245 0.92797731 0.50000000 1.0 Sm Sm1 1 0.23466755 0.07202269 0.50000000 1.0 Sm Sm2 1 0.26533245 0.57202269 0.00000000 1.0 Sm Sm3 1 0.73466755 0.42797731 0.00000000 1.0 Sm Sm4 1 0.07202269 0.76533245 0.50000000 1.0 Sm Sm5 1 0.92797731 0.23466755 0.50000000 1.0 Sm Sm6 1 0.42797731 0.26533245 0.00000000 1.0 Sm Sm7 1 0.57202269 0.73466755 0.00000000 1.0 Si Si8 1 0.82110387 0.47848465 0.50000000 1.0 Si Si9 1 0.17889613 0.52151535 0.50000000 1.0 Si Si10 1 0.32110387 0.02151535 0.00000000 1.0 Si Si11 1 0.67889613 0.97848465 0.00000000 1.0 Si Si12 1 0.52151535 0.82110387 0.50000000 1.0 Si Si13 1 0.47848465 0.17889613 0.50000000 1.0 Si Si14 1 0.97848465 0.32110387 0.00000000 1.0 Si Si15 1 0.02151535 0.67889613 0.00000000 1.0 Si Si16 1 0.67267322 0.17267322 0.25000000 1.0 Si Si17 1 0.32732678 0.82732678 0.25000000 1.0 Si Si18 1 0.17267322 0.32732678 0.75000000 1.0 Si Si19 1 0.82732678 0.67267322 0.75000000 1.0 Si Si20 1 0.82732678 0.67267322 0.25000000 1.0 Si Si21 1 0.17267322 0.32732678 0.25000000 1.0 Si Si22 1 0.67267322 0.17267322 0.75000000 1.0 Si Si23 1 0.32732678 0.82732678 0.75000000 1.0 Si Si24 1 0.50000000 0.50000000 0.27162589 1.0 Si Si25 1 0.00000000 -0.00000000 0.77162589 1.0 Si Si26 1 0.50000000 0.50000000 0.72837411 1.0 Si Si27 1 0.00000000 -0.00000000 0.22837411 1.0 Ru Ru28 1 0.50000000 -0.00000000 0.25000000 1.0 Ru Ru29 1 0.00000000 0.50000000 0.75000000 1.0 Ru Ru30 1 0.00000000 0.50000000 0.25000000 1.0 Ru Ru31 1 0.50000000 -0.00000000 0.75000000 1.0 Ru Ru32 1 0.64642874 0.62498126 0.50000000 1.0 Ru Ru33 1 0.35357126 0.37501874 0.50000000 1.0 Ru Ru34 1 0.14642874 0.87501874 0.00000000 1.0 Ru Ru35 1 0.85357126 0.12498126 0.00000000 1.0 Ru Ru36 1 0.37501874 0.64642874 0.50000000 1.0 Ru Ru37 1 0.62498126 0.35357126 0.50000000 1.0 Ru Ru38 1 0.12498126 0.14642874 0.00000000 1.0 Ru Ru39 1 0.87501874 0.85357126 0.00000000 1.0