# generated using pymatgen data_Ba2Au(CO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96070149 _cell_length_b 8.96070149 _cell_length_c 8.96070149 _cell_angle_alpha 140.90569472 _cell_angle_beta 140.90569472 _cell_angle_gamma 56.48067752 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Au(CO)2 _chemical_formula_sum 'Ba4 Au2 C4 O4' _cell_volume 283.82711036 _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 0.11952800 0.61952800 0.50000000 1.0 Ba Ba1 1 0.88047200 0.38047200 0.50000000 1.0 Ba Ba2 1 0.61952800 0.11952800 0.50000000 1.0 Ba Ba3 1 0.38047200 0.88047200 0.50000000 1.0 Au Au4 1 0.50000000 0.50000000 0.00000000 1.0 Au Au5 1 0.00000000 0.00000000 0.00000000 1.0 C C6 1 0.29469000 0.29469000 0.00000000 1.0 C C7 1 0.70531000 0.70531000 0.00000000 1.0 C C8 1 0.21424400 0.21424400 0.00000000 1.0 C C9 1 0.78575600 0.78575600 0.00000000 1.0 O O10 1 0.75042100 0.75042100 0.50084200 1.0 O O11 1 0.24957900 0.75042100 0.00000000 1.0 O O12 1 0.75042100 0.24957900 0.00000000 1.0 O O13 1 0.24957900 0.24957900 0.49915800 1.0