# generated using pymatgen data_Rb12MgScSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.85476131 _cell_length_b 10.85475980 _cell_length_c 8.24156799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999272 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb12MgScSe8 _chemical_formula_sum 'Rb12 Mg1 Sc1 Se8' _cell_volume 840.97097094 _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 Rb Rb0 1 0.14207466 0.85792534 0.55242319 1.0 Rb Rb1 1 0.27442488 0.13721294 0.04216636 1.0 Rb Rb2 1 0.86278706 0.72557512 0.04216636 1.0 Rb Rb3 1 0.14207466 0.28414732 0.55242319 1.0 Rb Rb4 1 0.71585268 0.85792534 0.55242319 1.0 Rb Rb5 1 0.86278706 0.13721294 0.04216636 1.0 Rb Rb6 1 0.52500072 0.47499928 0.35585223 1.0 Rb Rb7 1 0.06536009 0.53267954 0.86820610 1.0 Rb Rb8 1 0.46732046 0.93463991 0.86820610 1.0 Rb Rb9 1 0.52500072 0.05000243 0.35585223 1.0 Rb Rb10 1 0.94999757 0.47499928 0.35585223 1.0 Rb Rb11 1 0.46732046 0.53267954 0.86820610 1.0 Mg Mg12 1 0.33333300 0.66666700 0.25806974 1.0 Sc Sc13 1 0.66666700 0.33333300 0.75031189 1.0 Se Se14 1 0.33333300 0.66666700 0.57473211 1.0 Se Se15 1 0.66666700 0.33333300 0.06470443 1.0 Se Se16 1 0.20017177 0.79982823 0.15613984 1.0 Se Se17 1 0.40774481 0.20387240 0.64907290 1.0 Se Se18 1 0.79612760 0.59225519 0.64907290 1.0 Se Se19 1 0.20017177 0.40034255 0.15613984 1.0 Se Se20 1 0.59965745 0.79982823 0.15613984 1.0 Se Se21 1 0.79612760 0.20387240 0.64907290 1.0