# generated using pymatgen data_Sc4Al18Ir5Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45973086 _cell_length_b 7.45973195 _cell_length_c 9.26906716 _cell_angle_alpha 90.02440901 _cell_angle_beta 90.02441073 _cell_angle_gamma 119.78981026 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Al18Ir5Au _chemical_formula_sum 'Sc4 Al18 Ir5 Au1' _cell_volume 447.63994590 _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 0.99545472 0.67308598 0.75181537 1.0 Sc Sc1 1 0.00454528 0.32691402 0.24818463 1.0 Sc Sc2 1 0.67308598 0.99545472 0.75181537 1.0 Sc Sc3 1 0.32691402 0.00454528 0.24818463 1.0 Al Al4 1 0.13245220 0.13245220 0.75537741 1.0 Al Al5 1 0.86754780 0.86754780 0.24462259 1.0 Al Al6 1 0.99899254 0.34289268 0.57975438 1.0 Al Al7 1 0.00100746 0.65710732 0.42024562 1.0 Al Al8 1 0.00200360 0.66507396 0.07429090 1.0 Al Al9 1 0.33492604 0.99799640 0.92570910 1.0 Al Al10 1 0.99799640 0.33492604 0.92570910 1.0 Al Al11 1 0.66507396 0.00200360 0.07429090 1.0 Al Al12 1 0.65710732 0.00100746 0.42024562 1.0 Al Al13 1 0.34289268 0.99899254 0.57975438 1.0 Al Al14 1 0.33187785 0.33187785 0.05763767 1.0 Al Al15 1 0.66812215 0.66812215 0.94236233 1.0 Al Al16 1 0.66047906 0.66047906 0.56276681 1.0 Al Al17 1 0.33952094 0.33952094 0.43723319 1.0 Al Al18 1 0.33874073 0.55279842 0.75095075 1.0 Al Al19 1 0.66125927 0.44720158 0.24904925 1.0 Al Al20 1 0.55279842 0.33874073 0.75095075 1.0 Al Al21 1 0.44720158 0.66125927 0.24904925 1.0 Ir Ir22 1 0.67199834 0.32800166 0.50000000 1.0 Ir Ir23 1 0.32800166 0.67199834 0.50000000 1.0 Ir Ir24 1 0.32798772 0.67201228 0.00000000 1.0 Ir Ir25 1 0.67201228 0.32798772 1.00000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Au Au27 1 0.00000000 0.00000000 0.50000000 1.0