# generated using pymatgen data_Ti3O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83695506 _cell_length_b 5.22785962 _cell_length_c 9.31424690 _cell_angle_alpha 91.07455541 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.52898085 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3O5 _chemical_formula_sum 'Ti6 O10' _cell_volume 173.76464249 _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 0.94369757 0.88739413 0.63912018 1.0 Ti Ti1 1 0.05630243 0.11260587 0.36087982 1.0 Ti Ti2 1 0.86939719 0.73879338 0.95546325 1.0 Ti Ti3 1 0.13060281 0.26120662 0.04453675 1.0 Ti Ti4 1 0.22079567 0.44158935 0.73684066 1.0 Ti Ti5 1 0.77920433 0.55841065 0.26315934 1.0 O O6 1 0.58738750 0.17477300 0.34046640 1.0 O O7 1 0.41261250 0.82522700 0.65953360 1.0 O O8 1 0.67356907 0.34713813 0.05514258 1.0 O O9 1 0.32643093 0.65286187 0.94485742 1.0 O O10 1 0.87066090 0.74132081 0.44262717 1.0 O O11 1 0.12933910 0.25867919 0.55737283 1.0 O O12 1 0.24182445 0.48364989 0.24359318 1.0 O O13 1 0.75817555 0.51635011 0.75640682 1.0 O O14 1 0.04297860 0.08595919 0.84647415 1.0 O O15 1 0.95702140 0.91404081 0.15352585 1.0