# generated using pymatgen data_Sc5Si12Ir16Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.66005610 _cell_length_b 12.66005619 _cell_length_c 3.91120228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000233 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Si12Ir16Rh3 _chemical_formula_sum 'Sc5 Si12 Ir16 Rh3' _cell_volume 542.89039988 _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 Sc Sc0 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81661311 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81661311 0.50000000 1.0 Sc Sc4 1 0.18338689 0.18338689 0.50000000 1.0 Si Si5 1 0.17964719 0.00000000 0.00000000 1.0 Si Si6 1 0.00000000 0.17964719 0.00000000 1.0 Si Si7 1 0.82035281 0.82035281 0.00000000 1.0 Si Si8 1 0.17026958 0.48152633 0.50000000 1.0 Si Si9 1 0.51847367 0.68874225 0.50000000 1.0 Si Si10 1 0.31125775 0.82973042 0.50000000 1.0 Si Si11 1 0.68874225 0.51847367 0.50000000 1.0 Si Si12 1 0.82973042 0.31125775 0.50000000 1.0 Si Si13 1 0.48152633 0.17026958 0.50000000 1.0 Si Si14 1 0.63175731 1.00000000 0.00000000 1.0 Si Si15 1 1.00000000 0.63175731 0.00000000 1.0 Si Si16 1 0.36824269 0.36824269 0.00000000 1.0 Ir Ir17 1 0.36203066 0.48906763 0.50000000 1.0 Ir Ir18 1 0.51093237 0.87296303 0.50000000 1.0 Ir Ir19 1 0.12703697 0.63796934 0.50000000 1.0 Ir Ir20 1 0.87296303 0.51093237 0.50000000 1.0 Ir Ir21 1 0.63796934 0.12703697 0.50000000 1.0 Ir Ir22 1 0.48906763 0.36203066 0.50000000 1.0 Ir Ir23 1 0.18349936 0.37529875 0.00000000 1.0 Ir Ir24 1 0.62470125 0.80820060 0.00000000 1.0 Ir Ir25 1 0.19179940 0.81650064 0.00000000 1.0 Ir Ir26 1 0.80820060 0.62470125 0.00000000 1.0 Ir Ir27 1 0.81650064 0.19179940 0.00000000 1.0 Ir Ir28 1 0.37529875 0.18349936 0.00000000 1.0 Ir Ir29 1 0.28059496 0.00000000 0.50000000 1.0 Ir Ir30 1 0.00000000 0.28059496 0.50000000 1.0 Ir Ir31 1 0.71940504 0.71940504 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh33 1 0.44628379 0.00000000 0.00000000 1.0 Rh Rh34 1 0.00000000 0.44628379 0.00000000 1.0 Rh Rh35 1 0.55371621 0.55371621 0.00000000 1.0