# generated using pymatgen data_Ti4O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15057096 _cell_length_b 5.11549620 _cell_length_c 5.11549635 _cell_angle_alpha 80.52709571 _cell_angle_beta 66.06587875 _cell_angle_gamma 66.06587169 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4O5 _chemical_formula_sum 'Ti4 O5' _cell_volume 90.73767654 _cell_formula_units_Z 1 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 0.60869852 0.17475297 0.60784800 1.0 Ti Ti1 1 0.21654852 0.39215200 0.17475297 1.0 Ti Ti2 1 0.78345148 0.60784800 0.82524703 1.0 Ti Ti3 1 0.39130148 0.82524703 0.39215200 1.0 O O4 1 0.90887114 0.78037822 0.40187749 1.0 O O5 1 0.31074963 0.59812251 0.78037822 1.0 O O6 1 0.68925037 0.40187749 0.21962178 1.0 O O7 1 0.09112886 0.21962178 0.59812251 1.0 O O8 1 0.50000000 0.00000000 0.00000000 1.0