# generated using pymatgen data_Ti13O22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65549135 _cell_length_b 13.95002659 _cell_length_c 7.65549092 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.34516052 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti13O22 _chemical_formula_sum 'Ti26 O44' _cell_volume 810.85391894 _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 0.19620771 0.81681975 0.93899312 1.0 Ti Ti1 1 0.06100688 0.18318025 0.80379229 1.0 Ti Ti2 1 0.23302938 0.50000000 0.76697062 1.0 Ti Ti3 1 0.44758986 0.34998290 0.92678661 1.0 Ti Ti4 1 0.07321339 0.65001710 0.55241014 1.0 Ti Ti5 1 0.42678661 0.15001710 0.94758986 1.0 Ti Ti6 1 0.05241014 0.84998290 0.57321339 1.0 Ti Ti7 1 0.26697062 -0.00000000 0.73302938 1.0 Ti Ti8 1 0.43899312 0.68318025 0.69620771 1.0 Ti Ti9 1 0.30379229 0.31681975 0.56100688 1.0 Ti Ti10 1 0.00000000 -0.00000000 0.00000000 1.0 Ti Ti11 1 0.66428502 0.15606583 0.66428502 1.0 Ti Ti12 1 0.16428502 0.34393417 0.16428502 1.0 Ti Ti13 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti14 1 0.33571498 0.84393417 0.33571498 1.0 Ti Ti15 1 0.83571498 0.65606583 0.83571498 1.0 Ti Ti16 1 0.56100688 0.31681975 0.30379229 1.0 Ti Ti17 1 0.69620771 0.68318025 0.43899312 1.0 Ti Ti18 1 0.73302938 -0.00000000 0.26697062 1.0 Ti Ti19 1 0.94758986 0.15001710 0.42678661 1.0 Ti Ti20 1 0.57321339 0.84998290 0.05241014 1.0 Ti Ti21 1 0.55241014 0.65001710 0.07321339 1.0 Ti Ti22 1 0.92678661 0.34998290 0.44758986 1.0 Ti Ti23 1 0.76697062 0.50000000 0.23302938 1.0 Ti Ti24 1 0.80379229 0.18318025 0.06100688 1.0 Ti Ti25 1 0.93899312 0.81681975 0.19620771 1.0 O O26 1 0.22819569 0.41891924 0.97740204 1.0 O O27 1 0.02259796 0.58108076 0.77180431 1.0 O O28 1 0.20953942 0.07996750 0.95605016 1.0 O O29 1 0.04394984 0.92003250 0.79046058 1.0 O O30 1 0.39004540 0.90745974 0.89671139 1.0 O O31 1 0.10328861 0.09254026 0.60995460 1.0 O O32 1 0.28405416 0.25000000 0.78405416 1.0 O O33 1 0.21594584 0.75000000 0.71594584 1.0 O O34 1 0.39671139 0.59254026 0.89004540 1.0 O O35 1 0.10995460 0.40745974 0.60328861 1.0 O O36 1 0.62432878 0.24227686 0.88812183 1.0 O O37 1 0.61187817 0.74227686 0.87567122 1.0 O O38 1 0.12432878 0.25772314 0.38812183 1.0 O O39 1 0.11187817 0.75772314 0.37567122 1.0 O O40 1 0.45605016 0.42003250 0.70953942 1.0 O O41 1 0.29046058 0.57996750 0.54394984 1.0 O O42 1 0.47740204 0.08108076 0.72819569 1.0 O O43 1 0.27180431 0.91891924 0.52259796 1.0 O O44 1 0.85148390 0.10034624 0.85148390 1.0 O O45 1 0.51531571 0.24780095 0.51531571 1.0 O O46 1 0.01531571 0.25219905 0.01531571 1.0 O O47 1 0.35148390 0.39965376 0.35148390 1.0 O O48 1 0.64851610 0.60034624 0.64851610 1.0 O O49 1 0.48468429 0.75219905 0.48468429 1.0 O O50 1 0.14851610 0.89965376 0.14851610 1.0 O O51 1 0.98468429 0.74780095 0.98468429 1.0 O O52 1 0.72819569 0.08108076 0.47740204 1.0 O O53 1 0.52259796 0.91891924 0.27180431 1.0 O O54 1 0.70953942 0.42003250 0.45605016 1.0 O O55 1 0.54394984 0.57996750 0.29046058 1.0 O O56 1 0.38812183 0.25772314 0.12432878 1.0 O O57 1 0.37567122 0.75772314 0.11187817 1.0 O O58 1 0.88812183 0.24227686 0.62432878 1.0 O O59 1 0.87567122 0.74227686 0.61187817 1.0 O O60 1 0.60328861 0.40745974 0.10995460 1.0 O O61 1 0.89004540 0.59254026 0.39671139 1.0 O O62 1 0.78405416 0.25000000 0.28405416 1.0 O O63 1 0.71594584 0.75000000 0.21594584 1.0 O O64 1 0.60995460 0.09254026 0.10328861 1.0 O O65 1 0.89671139 0.90745974 0.39004540 1.0 O O66 1 0.95605016 0.07996750 0.20953942 1.0 O O67 1 0.79046058 0.92003250 0.04394984 1.0 O O68 1 0.97740204 0.41891924 0.22819569 1.0 O O69 1 0.77180431 0.58108076 0.02259796 1.0