# generated using pymatgen data_BaInCuAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28421252 _cell_length_b 9.19747063 _cell_length_c 10.23396086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaInCuAu5 _chemical_formula_sum 'Ba4 In4 Cu4 Au20' _cell_volume 685.63782701 _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 0.25000000 0.24682077 0.11545487 1.0 Ba Ba1 1 0.25000000 0.74682077 0.38454513 1.0 Ba Ba2 1 0.75000000 0.75317923 0.88454513 1.0 Ba Ba3 1 0.75000000 0.25317923 0.61545487 1.0 In In4 1 0.25000000 0.34920920 0.48157825 1.0 In In5 1 0.25000000 0.84920920 0.01842175 1.0 In In6 1 0.75000000 0.65079080 0.51842175 1.0 In In7 1 0.75000000 0.15079080 0.98157825 1.0 Cu Cu8 1 0.25000000 0.06883955 0.61523815 1.0 Cu Cu9 1 0.25000000 0.56883955 0.88476185 1.0 Cu Cu10 1 0.75000000 0.93116045 0.38476185 1.0 Cu Cu11 1 0.75000000 0.43116045 0.11523815 1.0 Au Au12 1 0.05620634 0.09410153 0.39686706 1.0 Au Au13 1 0.44379366 0.59410153 0.10313294 1.0 Au Au14 1 0.55620634 0.90589847 0.60313294 1.0 Au Au15 1 0.94379366 0.40589847 0.89686706 1.0 Au Au16 1 0.94379366 0.90589847 0.60313294 1.0 Au Au17 1 0.55620634 0.40589847 0.89686706 1.0 Au Au18 1 0.44379366 0.09410153 0.39686706 1.0 Au Au19 1 0.05620634 0.59410153 0.10313294 1.0 Au Au20 1 0.04526160 0.06218467 0.83940542 1.0 Au Au21 1 0.45473840 0.56218467 0.66059458 1.0 Au Au22 1 0.54526160 0.93781533 0.16059458 1.0 Au Au23 1 0.95473840 0.43781533 0.33940542 1.0 Au Au24 1 0.95473840 0.93781533 0.16059458 1.0 Au Au25 1 0.54526160 0.43781533 0.33940542 1.0 Au Au26 1 0.45473840 0.06218467 0.83940542 1.0 Au Au27 1 0.04526160 0.56218467 0.66059458 1.0 Au Au28 1 0.25000000 0.31249799 0.75087091 1.0 Au Au29 1 0.25000000 0.81249799 0.74912909 1.0 Au Au30 1 0.75000000 0.68750201 0.24912909 1.0 Au Au31 1 0.75000000 0.18750201 0.25087091 1.0