# generated using pymatgen data_Sc5P12Ir11Ru8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.50446774 _cell_length_b 12.43972660 _cell_length_c 3.87730377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.06666484 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5P12Ir11Ru8 _chemical_formula_sum 'Sc5 P12 Ir11 Ru8' _cell_volume 521.96859220 _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 0.33323672 0.66696645 0.00000000 1.0 Sc Sc1 1 0.66999668 0.33460069 0.00000000 1.0 Sc Sc2 1 0.81480349 0.99957448 0.50000000 1.0 Sc Sc3 1 0.99824176 0.81356045 0.50000000 1.0 Sc Sc4 1 0.18094434 0.18334994 0.50000000 1.0 P P5 1 0.17502067 0.99639149 0.00000000 1.0 P P6 1 0.99908188 0.17864225 0.00000000 1.0 P P7 1 0.81947197 0.82064033 0.00000000 1.0 P P8 1 0.17443936 0.48209161 0.50000000 1.0 P P9 1 0.51798601 0.69167034 0.50000000 1.0 P P10 1 0.30811788 0.82702118 0.50000000 1.0 P P11 1 0.69292116 0.51849352 0.50000000 1.0 P P12 1 0.82852497 0.30904548 0.50000000 1.0 P P13 1 0.48487283 0.17177695 0.50000000 1.0 P P14 1 0.63974873 0.99967074 0.00000000 1.0 P P15 1 0.00053799 0.64021748 0.00000000 1.0 P P16 1 0.35868670 0.36365875 0.00000000 1.0 Ir Ir17 1 0.36428448 0.49329914 0.50000000 1.0 Ir Ir18 1 0.50392027 0.86845515 0.50000000 1.0 Ir Ir19 1 0.13232348 0.63701403 0.50000000 1.0 Ir Ir20 1 0.86910132 0.50568326 0.50000000 1.0 Ir Ir21 1 0.63903545 0.13197737 0.50000000 1.0 Ir Ir22 1 0.49739081 0.36125568 0.50000000 1.0 Ir Ir23 1 0.37108948 0.18385343 0.00000000 1.0 Ir Ir24 1 0.28659551 0.00251245 0.50000000 1.0 Ir Ir25 1 0.00051879 0.28528806 0.50000000 1.0 Ir Ir26 1 0.71403599 0.71433453 0.50000000 1.0 Ir Ir27 1 0.99908647 0.99936830 0.00000000 1.0 Ru Ru28 1 0.45480155 0.00317343 0.00000000 1.0 Ru Ru29 1 0.99987261 0.45340219 0.00000000 1.0 Ru Ru30 1 0.54761477 0.54433141 0.00000000 1.0 Ru Ru31 1 0.18165836 0.37644435 0.00000000 1.0 Ru Ru32 1 0.62244747 0.80512363 0.00000000 1.0 Ru Ru33 1 0.19420059 0.81939612 0.00000000 1.0 Ru Ru34 1 0.80704749 0.62473534 0.00000000 1.0 Ru Ru35 1 0.81833999 0.19297798 0.00000000 1.0