# generated using pymatgen data_TiZnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44633930 _cell_length_b 7.44633930 _cell_length_c 11.29904092 _cell_angle_alpha 59.32157733 _cell_angle_beta 59.32157733 _cell_angle_gamma 22.83576870 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnO2 _chemical_formula_sum 'Ti4 Zn4 O8' _cell_volume 207.60699570 _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 Ti Ti0 1 0.88325400 0.88325400 0.72534600 1.0 Ti Ti1 1 0.64694400 0.64694400 0.53703700 1.0 Ti Ti2 1 0.35305600 0.35305600 0.46296300 1.0 Ti Ti3 1 0.11674600 0.11674600 0.27465400 1.0 Zn Zn4 1 0.47166800 0.47166800 0.90506100 1.0 Zn Zn5 1 0.52833200 0.52833200 0.09493900 1.0 Zn Zn6 1 0.86310100 0.86310100 0.14068000 1.0 Zn Zn7 1 0.13689900 0.13689900 0.85932000 1.0 O O8 1 0.50725000 0.50725000 0.31513800 1.0 O O9 1 0.87613400 0.87613400 0.56744900 1.0 O O10 1 0.12386600 0.12386600 0.43255100 1.0 O O11 1 0.49275000 0.49275000 0.68486200 1.0 O O12 1 0.28802800 0.28802800 0.82135000 1.0 O O13 1 0.19092700 0.19092700 0.61682800 1.0 O O14 1 0.71197200 0.71197200 0.17865000 1.0 O O15 1 0.80907300 0.80907300 0.38317200 1.0