# generated using pymatgen data_Ti3O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04623696 _cell_length_b 5.68538181 _cell_length_c 7.20101982 _cell_angle_alpha 109.89590603 _cell_angle_beta 90.00072298 _cell_angle_gamma 116.34815824 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3O5 _chemical_formula_sum 'Ti6 O10' _cell_volume 171.26315838 _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 Ti Ti0 1 0.86145068 0.74093583 0.77904294 1.0 Ti Ti1 1 0.87947124 0.74096975 0.27904692 1.0 Ti Ti2 1 0.11436370 0.25671356 0.71780241 1.0 Ti Ti3 1 0.14230710 0.25665305 0.21776056 1.0 Ti Ti4 1 0.50379718 0.00275764 0.50414414 1.0 Ti Ti5 1 0.49899294 0.00273642 0.00410045 1.0 O O6 1 0.15013805 0.62132560 0.84502861 1.0 O O7 1 0.30976045 -0.00119816 0.25085534 1.0 O O8 1 0.92287833 0.16053093 0.44062003 1.0 O O9 1 0.23763736 0.16048924 0.94056270 1.0 O O10 1 0.84842499 0.37762088 0.15482313 1.0 O O11 1 0.07852203 0.84136132 0.55776630 1.0 O O12 1 0.68909684 -0.00117896 0.75087488 1.0 O O13 1 0.52913781 0.37760807 0.65480117 1.0 O O14 1 0.76279371 0.84131976 0.05773985 1.0 O O15 1 0.47122657 0.62135405 0.34503059 1.0