# generated using pymatgen data_Ti2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11336999 _cell_length_b 5.11336999 _cell_length_c 16.08926500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.90150759 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2O3 _chemical_formula_sum 'Ti8 O12' _cell_volume 229.72425230 _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 0.64422600 0.35577400 0.04058400 1.0 Ti Ti1 1 0.35577400 0.64422600 0.95941600 1.0 Ti Ti2 1 0.64422600 0.35577400 0.45941600 1.0 Ti Ti3 1 0.35577400 0.64422600 0.54058400 1.0 Ti Ti4 1 0.10436200 0.89563800 0.64276100 1.0 Ti Ti5 1 0.89563800 0.10436200 0.35723900 1.0 Ti Ti6 1 0.89563800 0.10436200 0.14276100 1.0 Ti Ti7 1 0.10436200 0.89563800 0.85723900 1.0 O O8 1 0.00000000 0.00000000 0.50000000 1.0 O O9 1 0.00000000 0.00000000 0.00000000 1.0 O O10 1 0.47020300 0.52979700 0.85657900 1.0 O O11 1 0.52979700 0.47020300 0.14342100 1.0 O O12 1 0.52979700 0.47020300 0.35657900 1.0 O O13 1 0.47020300 0.52979700 0.64342100 1.0 O O14 1 0.72257800 0.27742200 0.91340400 1.0 O O15 1 0.27742200 0.72257800 0.08659600 1.0 O O16 1 0.27742200 0.72257800 0.41340400 1.0 O O17 1 0.72257800 0.27742200 0.58659600 1.0 O O18 1 0.16099700 0.83900300 0.75000000 1.0 O O19 1 0.83900300 0.16099700 0.25000000 1.0