# generated using pymatgen data_Th4Al18Ir5Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62181053 _cell_length_b 7.62181063 _cell_length_c 9.48445646 _cell_angle_alpha 89.95980341 _cell_angle_beta 89.95980173 _cell_angle_gamma 119.28595944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4Al18Ir5Ru _chemical_formula_sum 'Th4 Al18 Ir5 Ru1' _cell_volume 480.55048686 _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 0.99428055 0.67261925 0.74963153 1.0 Th Th1 1 0.00571945 0.32738075 0.25036847 1.0 Th Th2 1 0.67261925 0.99428055 0.74963153 1.0 Th Th3 1 0.32738075 0.00571945 0.25036847 1.0 Al Al4 1 0.13398420 0.13398420 0.74845964 1.0 Al Al5 1 0.86601580 0.86601580 0.25154036 1.0 Al Al6 1 0.00597881 0.33476916 0.57368097 1.0 Al Al7 1 0.99402119 0.66523084 0.42631903 1.0 Al Al8 1 0.99411016 0.66347607 0.07426991 1.0 Al Al9 1 0.33652393 0.00588984 0.92573009 1.0 Al Al10 1 0.00588984 0.33652393 0.92573009 1.0 Al Al11 1 0.66347607 0.99411016 0.07426991 1.0 Al Al12 1 0.66523084 0.99402119 0.42631903 1.0 Al Al13 1 0.33476916 0.00597881 0.57368097 1.0 Al Al14 1 0.33667919 0.33667919 0.04470513 1.0 Al Al15 1 0.66332081 0.66332081 0.95529487 1.0 Al Al16 1 0.66498403 0.66498403 0.54337420 1.0 Al Al17 1 0.33501597 0.33501597 0.45662580 1.0 Al Al18 1 0.34190502 0.54590141 0.74988976 1.0 Al Al19 1 0.65809498 0.45409859 0.25011024 1.0 Al Al20 1 0.54590141 0.34190502 0.74988976 1.0 Al Al21 1 0.45409859 0.65809498 0.25011024 1.0 Ir Ir22 1 0.67289766 0.32710234 0.50000000 1.0 Ir Ir23 1 0.32710234 0.67289766 0.50000000 1.0 Ir Ir24 1 0.32736941 0.67263059 1.00000000 1.0 Ir Ir25 1 0.67263059 0.32736941 0.00000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru27 1 0.00000000 0.00000000 0.50000000 1.0