# generated using pymatgen data_Ti2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.24024650 _cell_length_b 2.97464134 _cell_length_c 7.71079796 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.08964108 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2O3 _chemical_formula_sum 'Ti12 O18' _cell_volume 299.87604097 _cell_formula_units_Z 6 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 0.01557099 0.25000000 0.19019929 1.0 Ti Ti1 1 0.11822730 0.25000000 0.54197482 1.0 Ti Ti2 1 0.21889799 0.75000000 0.15775334 1.0 Ti Ti3 1 0.27663640 0.75000000 0.82570001 1.0 Ti Ti4 1 0.39439209 0.25000000 0.48974359 1.0 Ti Ti5 1 0.43717300 0.25000000 0.13473022 1.0 Ti Ti6 1 0.56282700 0.75000000 0.86526978 1.0 Ti Ti7 1 0.60560791 0.75000000 0.51025641 1.0 Ti Ti8 1 0.72336360 0.25000000 0.17429999 1.0 Ti Ti9 1 0.78110201 0.25000000 0.84224666 1.0 Ti Ti10 1 0.88177270 0.75000000 0.45802518 1.0 Ti Ti11 1 0.98442901 0.75000000 0.80980071 1.0 O O12 1 0.03208790 0.75000000 0.38499491 1.0 O O13 1 0.12763798 0.75000000 0.72779389 1.0 O O14 1 0.07630681 0.75000000 0.05111139 1.0 O O15 1 0.17852716 0.25000000 0.30970071 1.0 O O16 1 0.28415530 0.25000000 0.64583253 1.0 O O17 1 0.26642380 0.25000000 0.00865699 1.0 O O18 1 0.42218088 0.75000000 0.94800524 1.0 O O19 1 0.36624164 0.75000000 0.28484439 1.0 O O20 1 0.47200217 0.75000000 0.62639482 1.0 O O21 1 0.52799783 0.25000000 0.37360518 1.0 O O22 1 0.63375836 0.25000000 0.71515561 1.0 O O23 1 0.57781912 0.25000000 0.05199476 1.0 O O24 1 0.73357620 0.75000000 0.99134301 1.0 O O25 1 0.71584470 0.75000000 0.35416747 1.0 O O26 1 0.82147284 0.75000000 0.69029929 1.0 O O27 1 0.92369319 0.25000000 0.94888861 1.0 O O28 1 0.87236202 0.25000000 0.27220611 1.0 O O29 1 0.96791210 0.25000000 0.61500509 1.0