# generated using pymatgen data_LuSc3(SiRh2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04316878 _cell_length_b 8.89648443 _cell_length_c 11.05185990 _cell_angle_alpha 90.42615594 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuSc3(SiRh2)8 _chemical_formula_sum 'Lu1 Sc3 Si8 Rh16' _cell_volume 397.52427246 _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 Lu Lu0 1 0.25000000 0.14463441 0.82486767 1.0 Sc Sc1 1 0.25000000 0.35952925 0.32308996 1.0 Sc Sc2 1 0.75000000 0.85606286 0.17680944 1.0 Sc Sc3 1 0.75000000 0.64435818 0.67462264 1.0 Si Si4 1 0.25000000 0.41576234 0.63572099 1.0 Si Si5 1 0.25000000 0.08617103 0.13929187 1.0 Si Si6 1 0.75000000 0.58918479 0.36094887 1.0 Si Si7 1 0.75000000 0.90856537 0.86382299 1.0 Si Si8 1 0.25000000 0.61627185 0.05976276 1.0 Si Si9 1 0.25000000 0.88310347 0.56075274 1.0 Si Si10 1 0.75000000 0.37766992 0.93957556 1.0 Si Si11 1 0.75000000 0.11791205 0.44070693 1.0 Rh Rh12 1 0.25000000 0.61788693 0.50156041 1.0 Rh Rh13 1 0.25000000 0.88052427 0.00337232 1.0 Rh Rh14 1 0.75000000 0.38465118 0.49296681 1.0 Rh Rh15 1 0.75000000 0.11036007 0.00391861 1.0 Rh Rh16 1 0.25000000 0.69679537 0.26662206 1.0 Rh Rh17 1 0.25000000 0.80176644 0.76702070 1.0 Rh Rh18 1 0.75000000 0.31308564 0.72750903 1.0 Rh Rh19 1 0.75000000 0.19953235 0.23567720 1.0 Rh Rh20 1 0.25000000 0.17261364 0.55953561 1.0 Rh Rh21 1 0.25000000 0.32698395 0.06158385 1.0 Rh Rh22 1 0.75000000 0.83035982 0.43922398 1.0 Rh Rh23 1 0.75000000 0.66851269 0.93971282 1.0 Rh Rh24 1 0.25000000 0.00858760 0.34195916 1.0 Rh Rh25 1 0.25000000 0.49026944 0.84322684 1.0 Rh Rh26 1 0.75000000 0.99078107 0.65893645 1.0 Rh Rh27 1 0.75000000 0.50806404 0.15720273 1.0