# generated using pymatgen data_BiAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68433000 _cell_length_b 6.55056000 _cell_length_c 6.70136999 _cell_angle_alpha 64.22452332 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiAuO2 _chemical_formula_sum 'Bi2 Au2 O4' _cell_volume 145.64200973 _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 Bi Bi0 1 0.75000000 0.93642000 0.76553000 1.0 Bi Bi1 1 0.25000000 0.06358000 0.23447000 1.0 Au Au2 1 0.75000000 0.52778000 0.30664000 1.0 Au Au3 1 0.25000000 0.47222000 0.69336000 1.0 O O4 1 0.25000000 0.12595000 0.81106000 1.0 O O5 1 0.25000000 0.81578000 0.59275000 1.0 O O6 1 0.75000000 0.18422000 0.40725000 1.0 O O7 1 0.75000000 0.87405000 0.18894000 1.0