# generated using pymatgen data_Lu2Si5Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.62483879 _cell_length_b 10.62483879 _cell_length_c 5.51605313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Si5Ru3 _chemical_formula_sum 'Lu8 Si20 Ru12' _cell_volume 622.69178911 _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 Lu Lu0 1 0.92810643 0.23700724 0.00000000 1.0 Lu Lu1 1 0.73700724 0.42810643 0.50000000 1.0 Lu Lu2 1 0.76299276 0.92810643 0.00000000 1.0 Lu Lu3 1 0.42810643 0.26299276 0.50000000 1.0 Lu Lu4 1 0.23700724 0.07189357 0.00000000 1.0 Lu Lu5 1 0.57189357 0.73700724 0.50000000 1.0 Lu Lu6 1 0.26299276 0.57189357 0.50000000 1.0 Lu Lu7 1 0.07189357 0.76299276 0.00000000 1.0 Si Si8 1 0.67402387 0.17402387 0.75000000 1.0 Si Si9 1 0.17402387 0.32597613 0.25000000 1.0 Si Si10 1 0.32597613 0.82597613 0.25000000 1.0 Si Si11 1 0.81942244 0.47485824 0.00000000 1.0 Si Si12 1 0.31942244 0.02514176 0.50000000 1.0 Si Si13 1 0.50000000 0.50000000 0.74400625 1.0 Si Si14 1 0.52514176 0.81942244 0.00000000 1.0 Si Si15 1 0.50000000 0.50000000 0.25599375 1.0 Si Si16 1 0.68057756 0.97485824 0.50000000 1.0 Si Si17 1 0.17402387 0.32597613 0.75000000 1.0 Si Si18 1 0.97485824 0.31942244 0.50000000 1.0 Si Si19 1 0.18057756 0.52514176 0.00000000 1.0 Si Si20 1 0.47485824 0.18057756 0.00000000 1.0 Si Si21 1 -0.00000000 -0.00000000 0.24400625 1.0 Si Si22 1 0.82597613 0.67402387 0.25000000 1.0 Si Si23 1 0.02514176 0.68057756 0.50000000 1.0 Si Si24 1 0.82597613 0.67402387 0.75000000 1.0 Si Si25 1 -0.00000000 -0.00000000 0.75599375 1.0 Si Si26 1 0.32597613 0.82597613 0.75000000 1.0 Si Si27 1 0.67402387 0.17402387 0.25000000 1.0 Ru Ru28 1 0.62534532 0.35639741 0.00000000 1.0 Ru Ru29 1 0.12534532 0.14360259 0.50000000 1.0 Ru Ru30 1 0.85639741 0.12534532 0.50000000 1.0 Ru Ru31 1 0.37465468 0.64360259 0.00000000 1.0 Ru Ru32 1 0.50000000 -0.00000000 0.75000000 1.0 Ru Ru33 1 0.64360259 0.62534532 0.00000000 1.0 Ru Ru34 1 0.50000000 -0.00000000 0.25000000 1.0 Ru Ru35 1 0.35639741 0.37465468 0.00000000 1.0 Ru Ru36 1 0.87465468 0.85639741 0.50000000 1.0 Ru Ru37 1 -0.00000000 0.50000000 0.75000000 1.0 Ru Ru38 1 0.14360259 0.87465468 0.50000000 1.0 Ru Ru39 1 -0.00000000 0.50000000 0.25000000 1.0