# generated using pymatgen data_Sc5Si12Ir17Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63430555 _cell_length_b 12.63430574 _cell_length_c 3.92390980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.07031018 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Si12Ir17Ru2 _chemical_formula_sum 'Sc5 Si12 Ir17 Ru2' _cell_volume 542.05614926 _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 0.33092966 0.66767932 0.00000000 1.0 Sc Sc1 1 0.66767932 0.33092966 0.00000000 1.0 Sc Sc2 1 0.81398055 0.00036931 0.50000000 1.0 Sc Sc3 1 0.00036931 0.81398055 0.50000000 1.0 Sc Sc4 1 0.18529010 0.18529010 0.50000000 1.0 Si Si5 1 0.17978828 0.00146151 0.00000000 1.0 Si Si6 1 0.00146151 0.17978828 0.00000000 1.0 Si Si7 1 0.82034173 0.82034173 0.00000000 1.0 Si Si8 1 0.16863489 0.48155140 0.50000000 1.0 Si Si9 1 0.51835543 0.68932344 0.50000000 1.0 Si Si10 1 0.31180884 0.83247701 0.50000000 1.0 Si Si11 1 0.68932344 0.51835543 0.50000000 1.0 Si Si12 1 0.83247701 0.31180884 0.50000000 1.0 Si Si13 1 0.48155140 0.16863489 0.50000000 1.0 Si Si14 1 0.62977192 0.99989447 0.00000000 1.0 Si Si15 1 0.99989447 0.62977192 0.00000000 1.0 Si Si16 1 0.36717697 0.36717697 0.00000000 1.0 Ir Ir17 1 0.55391639 0.55391639 0.00000000 1.0 Ir Ir18 1 0.36211366 0.48969593 0.50000000 1.0 Ir Ir19 1 0.51053198 0.87303135 0.50000000 1.0 Ir Ir20 1 0.12720530 0.63892901 0.50000000 1.0 Ir Ir21 1 0.87303135 0.51053198 0.50000000 1.0 Ir Ir22 1 0.63892901 0.12720530 0.50000000 1.0 Ir Ir23 1 0.48969593 0.36211366 0.50000000 1.0 Ir Ir24 1 0.18382827 0.37629978 0.00000000 1.0 Ir Ir25 1 0.62505791 0.80818895 0.00000000 1.0 Ir Ir26 1 0.19115740 0.81790012 0.00000000 1.0 Ir Ir27 1 0.80818895 0.62505791 0.00000000 1.0 Ir Ir28 1 0.81790012 0.19115740 0.00000000 1.0 Ir Ir29 1 0.37629978 0.18382827 0.00000000 1.0 Ir Ir30 1 0.27886137 0.00112178 0.50000000 1.0 Ir Ir31 1 0.00112178 0.27886137 0.50000000 1.0 Ir Ir32 1 0.71943031 0.71943031 0.50000000 1.0 Ir Ir33 1 0.99978193 0.99978193 0.00000000 1.0 Ru Ru34 1 0.44379716 0.00031558 0.00000000 1.0 Ru Ru35 1 0.00031558 0.44379716 0.00000000 1.0