# generated using pymatgen data_ZnCu2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46626800 _cell_length_b 3.90832100 _cell_length_c 9.69604200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu2O3 _chemical_formula_sum 'Zn2 Cu4 O6' _cell_volume 131.35507359 _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 Zn Zn0 1 0.30439800 0.00000000 0.00000000 1.0 Zn Zn1 1 0.69560200 0.50000000 0.50000000 1.0 Cu Cu2 1 0.18429900 0.00000000 0.33599500 1.0 Cu Cu3 1 0.18429900 0.00000000 0.66400500 1.0 Cu Cu4 1 0.81570100 0.50000000 0.83599500 1.0 Cu Cu5 1 0.81570100 0.50000000 0.16400500 1.0 O O6 1 0.49864700 0.00000000 0.50000000 1.0 O O7 1 0.90231300 0.00000000 0.83825700 1.0 O O8 1 0.90231300 0.00000000 0.16174300 1.0 O O9 1 0.50135300 0.50000000 0.00000000 1.0 O O10 1 0.09768700 0.50000000 0.33825700 1.0 O O11 1 0.09768700 0.50000000 0.66174300 1.0