# generated using pymatgen data_Ba4Ge20Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.00371100 _cell_length_b 11.00371100 _cell_length_c 11.00371100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ge20Au3 _chemical_formula_sum 'Ba8 Ge40 Au6' _cell_volume 1332.34754751 _cell_formula_units_Z 2 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 0.00000000 0.00000000 0.00000000 1.0 Ba Ba1 1 0.50000000 0.50000000 0.50000000 1.0 Ba Ba2 1 0.25000000 0.50000000 0.00000000 1.0 Ba Ba3 1 0.75000000 0.50000000 0.00000000 1.0 Ba Ba4 1 0.50000000 0.00000000 0.25000000 1.0 Ba Ba5 1 0.50000000 0.00000000 0.75000000 1.0 Ba Ba6 1 0.00000000 0.75000000 0.50000000 1.0 Ba Ba7 1 0.00000000 0.25000000 0.50000000 1.0 Ge Ge8 1 0.18305000 0.18305000 0.18305000 1.0 Ge Ge9 1 0.68305000 0.31695000 0.68305000 1.0 Ge Ge10 1 0.68305000 0.68305000 0.31695000 1.0 Ge Ge11 1 0.31695000 0.68305000 0.68305000 1.0 Ge Ge12 1 0.81695000 0.81695000 0.18305000 1.0 Ge Ge13 1 0.18305000 0.81695000 0.81695000 1.0 Ge Ge14 1 0.81695000 0.18305000 0.81695000 1.0 Ge Ge15 1 0.31695000 0.31695000 0.31695000 1.0 Ge Ge16 1 0.81695000 0.81695000 0.81695000 1.0 Ge Ge17 1 0.31695000 0.68305000 0.31695000 1.0 Ge Ge18 1 0.31695000 0.31695000 0.68305000 1.0 Ge Ge19 1 0.68305000 0.31695000 0.31695000 1.0 Ge Ge20 1 0.18305000 0.18305000 0.81695000 1.0 Ge Ge21 1 0.81695000 0.18305000 0.18305000 1.0 Ge Ge22 1 0.18305000 0.81695000 0.18305000 1.0 Ge Ge23 1 0.68305000 0.68305000 0.68305000 1.0 Ge Ge24 1 0.00000000 0.30862300 0.11670400 1.0 Ge Ge25 1 0.50000000 0.38329600 0.80862300 1.0 Ge Ge26 1 0.50000000 0.61670400 0.19137700 1.0 Ge Ge27 1 0.61670400 0.80862300 0.50000000 1.0 Ge Ge28 1 0.38329600 0.80862300 0.50000000 1.0 Ge Ge29 1 0.19137700 0.50000000 0.61670400 1.0 Ge Ge30 1 0.80862300 0.50000000 0.61670400 1.0 Ge Ge31 1 0.11670400 0.00000000 0.30862300 1.0 Ge Ge32 1 0.30862300 0.11670400 0.00000000 1.0 Ge Ge33 1 0.69137700 0.88329600 0.00000000 1.0 Ge Ge34 1 0.11670400 0.00000000 0.69137700 1.0 Ge Ge35 1 0.69137700 0.11670400 0.00000000 1.0 Ge Ge36 1 0.88329600 0.00000000 0.30862300 1.0 Ge Ge37 1 0.88329600 0.00000000 0.69137700 1.0 Ge Ge38 1 0.30862300 0.88329600 0.00000000 1.0 Ge Ge39 1 0.00000000 0.69137700 0.88329600 1.0 Ge Ge40 1 0.00000000 0.30862300 0.88329600 1.0 Ge Ge41 1 0.00000000 0.69137700 0.11670400 1.0 Ge Ge42 1 0.80862300 0.50000000 0.38329600 1.0 Ge Ge43 1 0.19137700 0.50000000 0.38329600 1.0 Ge Ge44 1 0.61670400 0.19137700 0.50000000 1.0 Ge Ge45 1 0.38329600 0.19137700 0.50000000 1.0 Ge Ge46 1 0.50000000 0.61670400 0.80862300 1.0 Ge Ge47 1 0.50000000 0.38329600 0.19137700 1.0 Au Au48 1 0.25000000 0.00000000 0.50000000 1.0 Au Au49 1 0.75000000 0.00000000 0.50000000 1.0 Au Au50 1 0.00000000 0.50000000 0.25000000 1.0 Au Au51 1 0.00000000 0.50000000 0.75000000 1.0 Au Au52 1 0.50000000 0.75000000 0.00000000 1.0 Au Au53 1 0.50000000 0.25000000 0.00000000 1.0