# generated using pymatgen data_Th5P12Ir8Ru11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.69139032 _cell_length_b 12.62428096 _cell_length_c 4.00568245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.75946450 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th5P12Ir8Ru11 _chemical_formula_sum 'Th5 P12 Ir8 Ru11' _cell_volume 557.14796374 _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 Th Th0 1 0.66661902 0.32988679 0.00000000 1.0 Th Th1 1 0.33426240 0.66747581 0.00000000 1.0 Th Th2 1 0.81157807 0.00126539 0.50000000 1.0 Th Th3 1 0.18482080 0.18734176 0.50000000 1.0 Th Th4 1 0.00007900 0.81437575 0.50000000 1.0 P P5 1 0.62945441 0.00242042 0.00000000 1.0 P P6 1 0.36767137 0.37345131 0.00000000 1.0 P P7 1 0.00627530 0.63258422 0.00000000 1.0 P P8 1 0.69043805 0.52127362 0.50000000 1.0 P P9 1 0.82762860 0.30206789 0.50000000 1.0 P P10 1 0.31188527 0.83173070 0.50000000 1.0 P P11 1 0.51999752 0.68856401 0.50000000 1.0 P P12 1 0.18261035 0.00170870 0.00000000 1.0 P P13 1 0.81674302 0.81718780 0.00000000 1.0 P P14 1 0.99732415 0.18330707 0.00000000 1.0 P P15 1 0.47997965 0.16396040 0.50000000 1.0 P P16 1 0.16927053 0.48187445 0.50000000 1.0 Ir Ir17 1 0.62399827 0.80431678 0.00000000 1.0 Ir Ir18 1 0.18092452 0.37767781 0.00000000 1.0 Ir Ir19 1 0.37435043 0.18369914 0.00000000 1.0 Ir Ir20 1 0.19685311 0.82157826 0.00000000 1.0 Ir Ir21 1 0.80766494 0.62314301 0.00000000 1.0 Ir Ir22 1 0.86991967 0.50428095 0.50000000 1.0 Ir Ir23 1 0.49382618 0.36217368 0.50000000 1.0 Ir Ir24 1 0.99945263 0.99982490 0.00000000 1.0 Ru Ru25 1 0.63542915 0.12380576 0.50000000 1.0 Ru Ru26 1 0.12548045 0.63824527 0.50000000 1.0 Ru Ru27 1 0.36364731 0.48860677 0.50000000 1.0 Ru Ru28 1 0.50825693 0.87110656 0.50000000 1.0 Ru Ru29 1 0.71254280 0.71146279 0.50000000 1.0 Ru Ru30 1 0.00207712 0.29091409 0.50000000 1.0 Ru Ru31 1 0.44885220 0.00110844 0.00000000 1.0 Ru Ru32 1 0.54958722 0.54678061 0.00000000 1.0 Ru Ru33 1 0.00115590 0.45126251 0.00000000 1.0 Ru Ru34 1 0.82067009 0.19797722 0.00000000 1.0 Ru Ru35 1 0.28867356 0.00156037 0.50000000 1.0