# generated using pymatgen data_CsTi8O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80385003 _cell_length_b 10.80385003 _cell_length_c 14.67753021 _cell_angle_alpha 47.19466197 _cell_angle_beta 47.19466197 _cell_angle_gamma 32.05364363 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTi8O16 _chemical_formula_sum 'Cs2 Ti16 O32' _cell_volume 643.02440406 _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 Cs Cs0 1 0.65663200 0.34336800 0.75000000 1.0 Cs Cs1 1 0.34336800 0.65663200 0.25000000 1.0 Ti Ti2 1 0.88353900 0.63430500 0.90101000 1.0 Ti Ti3 1 0.37984500 0.12906200 0.90291100 1.0 Ti Ti4 1 0.62015500 0.87093800 0.09708900 1.0 Ti Ti5 1 0.11646100 0.36569500 0.09899000 1.0 Ti Ti6 1 0.46717400 0.71760600 0.91105100 1.0 Ti Ti7 1 0.71760600 0.46717400 0.41105100 1.0 Ti Ti8 1 0.96412700 0.21617000 0.91986200 1.0 Ti Ti9 1 0.21617000 0.96412700 0.41986200 1.0 Ti Ti10 1 0.03587300 0.78383000 0.08013800 1.0 Ti Ti11 1 0.78383000 0.03587300 0.58013800 1.0 Ti Ti12 1 0.53282600 0.28239400 0.08894900 1.0 Ti Ti13 1 0.28239400 0.53282600 0.58894900 1.0 Ti Ti14 1 0.63430500 0.88353900 0.40101000 1.0 Ti Ti15 1 0.12906200 0.37984500 0.40291100 1.0 Ti Ti16 1 0.87093800 0.62015500 0.59708900 1.0 Ti Ti17 1 0.36569500 0.11646100 0.59899000 1.0 O O18 1 0.69135900 0.94075000 0.90826800 1.0 O O19 1 0.19190800 0.44014000 0.90758700 1.0 O O20 1 0.43888900 0.19095700 0.08287400 1.0 O O21 1 0.93842200 0.68881900 0.08468200 1.0 O O22 1 0.06157800 0.31118100 0.91531800 1.0 O O23 1 0.56111100 0.80904300 0.91712600 1.0 O O24 1 0.80809200 0.55986000 0.09241300 1.0 O O25 1 0.30864100 0.05925000 0.09173200 1.0 O O26 1 0.27281100 0.02427900 0.78793300 1.0 O O27 1 0.02427900 0.27281100 0.28793300 1.0 O O28 1 0.77477800 0.51998800 0.78767100 1.0 O O29 1 0.51998800 0.77477800 0.28767100 1.0 O O30 1 0.89999700 0.15237400 0.53914400 1.0 O O31 1 0.15237400 0.89999700 0.03914400 1.0 O O32 1 0.40206300 0.64944500 0.54116900 1.0 O O33 1 0.64944500 0.40206300 0.04116900 1.0 O O34 1 0.35055500 0.59793700 0.95883100 1.0 O O35 1 0.59793700 0.35055500 0.45883100 1.0 O O36 1 0.10000300 0.84762600 0.46085600 1.0 O O37 1 0.84762600 0.10000300 0.96085600 1.0 O O38 1 0.48001200 0.22522200 0.71232900 1.0 O O39 1 0.22522200 0.48001200 0.21232900 1.0 O O40 1 0.72718900 0.97572100 0.21206700 1.0 O O41 1 0.97572100 0.72718900 0.71206700 1.0 O O42 1 0.94075000 0.69135900 0.40826800 1.0 O O43 1 0.44014000 0.19190800 0.40758700 1.0 O O44 1 0.19095700 0.43888900 0.58287400 1.0 O O45 1 0.68881900 0.93842200 0.58468200 1.0 O O46 1 0.31118100 0.06157800 0.41531800 1.0 O O47 1 0.80904300 0.56111100 0.41712600 1.0 O O48 1 0.55986000 0.80809200 0.59241300 1.0 O O49 1 0.05925000 0.30864100 0.59173200 1.0