# generated using pymatgen data_Ba(Al2Au)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.71294494 _cell_length_b 4.32902463 _cell_length_c 7.63658645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(Al2Au)2 _chemical_formula_sum 'Ba4 Al16 Au8' _cell_volume 585.57172908 _cell_formula_units_Z 4 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 Ba Ba0 1 0.11179873 0.75000000 0.50659419 1.0 Ba Ba1 1 0.38820127 0.25000100 0.00659419 1.0 Ba Ba2 1 0.61179873 0.75000000 0.99340581 1.0 Ba Ba3 1 0.88820127 0.25000100 0.49340681 1.0 Al Al4 1 0.20056256 0.25000100 0.21756132 1.0 Al Al5 1 0.29943744 0.75000000 0.71756032 1.0 Al Al6 1 0.70056156 0.25000100 0.28243968 1.0 Al Al7 1 0.79943844 0.75000000 0.78243968 1.0 Al Al8 1 0.40524546 0.25000100 0.49242084 1.0 Al Al9 1 0.09475454 0.75000000 0.99241984 1.0 Al Al10 1 0.90524546 0.25000100 0.00757916 1.0 Al Al11 1 0.59475454 0.75000000 0.50758016 1.0 Al Al12 1 0.04346798 0.25000100 0.19502437 1.0 Al Al13 1 0.45653202 0.75000000 0.69502537 1.0 Al Al14 1 0.54346798 0.25000100 0.30497463 1.0 Al Al15 1 0.95653202 0.75000000 0.80497463 1.0 Al Al16 1 0.19207245 0.25000100 0.83959784 1.0 Al Al17 1 0.30792755 0.75000000 0.33959784 1.0 Al Al18 1 0.69207145 0.25000100 0.66040216 1.0 Al Al19 1 0.80792855 0.75000000 0.16040116 1.0 Au Au20 1 0.26460925 0.25000100 0.53397334 1.0 Au Au21 1 0.23539075 0.75000000 0.03397434 1.0 Au Au22 1 0.76460925 0.25000100 0.96602666 1.0 Au Au23 1 0.73539075 0.75000000 0.46602666 1.0 Au Au24 1 0.03909946 0.25000100 0.83168820 1.0 Au Au25 1 0.46090054 0.75000000 0.33168920 1.0 Au Au26 1 0.53909946 0.25000100 0.66831280 1.0 Au Au27 1 0.96090154 0.75000000 0.16831180 1.0