# generated using pymatgen data_Cu3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37749081 _cell_length_b 6.37749081 _cell_length_c 6.37749081 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3O4 _chemical_formula_sum 'Cu6 O8' _cell_volume 183.41486349 _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 Cu Cu0 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu1 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu3 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu4 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu5 1 0.50000000 0.50000000 0.00000000 1.0 O O6 1 0.85756900 0.42729300 0.85756900 1.0 O O7 1 0.14243100 0.14243100 0.14243100 1.0 O O8 1 0.85756900 0.85756900 0.85756900 1.0 O O9 1 0.57270700 0.14243100 0.14243100 1.0 O O10 1 0.85756900 0.85756900 0.42729300 1.0 O O11 1 0.42729300 0.85756900 0.85756900 1.0 O O12 1 0.14243100 0.14243100 0.57270700 1.0 O O13 1 0.14243100 0.57270700 0.14243100 1.0