# generated using pymatgen data_Ti9O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05961800 _cell_length_b 6.69628159 _cell_length_c 9.06180726 _cell_angle_alpha 102.86932583 _cell_angle_beta 89.10522124 _cell_angle_gamma 102.93622340 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti9O8 _chemical_formula_sum 'Ti18 O16' _cell_volume 349.13885241 _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 0.24100000 0.51208700 0.16253200 1.0 Ti Ti1 1 0.60305700 0.83658400 0.07057500 1.0 Ti Ti2 1 0.94600300 0.16676000 0.92884200 1.0 Ti Ti3 1 0.05399700 0.83324000 0.07115800 1.0 Ti Ti4 1 0.39694300 0.16341600 0.92942500 1.0 Ti Ti5 1 0.54934500 0.82538300 0.71729700 1.0 Ti Ti6 1 0.75900000 0.48791300 0.83746800 1.0 Ti Ti7 1 0.93963300 0.17060200 0.62447800 1.0 Ti Ti8 1 0.09571100 0.85397700 0.72576000 1.0 Ti Ti9 1 0.24846600 0.48907500 0.82514500 1.0 Ti Ti10 1 0.39686100 0.16562000 0.62386700 1.0 Ti Ti11 1 0.73788200 0.49390300 0.47636100 1.0 Ti Ti12 1 0.90428900 0.14602300 0.27424000 1.0 Ti Ti13 1 0.06036700 0.82939800 0.37552200 1.0 Ti Ti14 1 0.26211800 0.50609700 0.52363900 1.0 Ti Ti15 1 0.45065500 0.17461700 0.28270300 1.0 Ti Ti16 1 0.60313900 0.83438000 0.37613300 1.0 Ti Ti17 1 0.75153400 0.51092500 0.17485500 1.0 O O18 1 0.17687800 0.17146300 0.11785100 1.0 O O19 1 0.50000000 0.50000000 0.00000000 1.0 O O20 1 0.66803800 0.16793500 0.09698800 1.0 O O21 1 0.82312200 0.82853700 0.88214900 1.0 O O22 1 0.00000000 0.50000000 0.00000000 1.0 O O23 1 0.33196200 0.83206500 0.90301200 1.0 O O24 1 0.52951000 0.49986300 0.67030000 1.0 O O25 1 0.66781800 0.15596400 0.77702100 1.0 O O26 1 0.82867700 0.82996100 0.56025500 1.0 O O27 1 0.98245300 0.50688800 0.65918100 1.0 O O28 1 0.17132300 0.17003900 0.43974500 1.0 O O29 1 0.32729500 0.83441500 0.53938800 1.0 O O30 1 0.47049000 0.50013700 0.32970000 1.0 O O31 1 0.67270500 0.16558500 0.46061200 1.0 O O32 1 0.01754700 0.49311200 0.34081900 1.0 O O33 1 0.33218200 0.84403600 0.22297900 1.0