# generated using pymatgen data_BaTi8O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97462400 _cell_length_b 7.31568779 _cell_length_c 7.44892937 _cell_angle_alpha 89.42081001 _cell_angle_beta 101.61739917 _cell_angle_gamma 101.84255841 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi8O16 _chemical_formula_sum 'Ba1 Ti8 O16' _cell_volume 311.95809510 _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 Ba Ba0 1 0.02124600 0.99983500 0.00070900 1.0 Ti Ti1 1 0.57707600 0.48195500 0.82021900 1.0 Ti Ti2 1 0.07683400 0.49555600 0.81564300 1.0 Ti Ti3 1 0.66296500 0.17900700 0.47034300 1.0 Ti Ti4 1 0.16914800 0.18720600 0.48618900 1.0 Ti Ti5 1 0.83150200 0.81338400 0.51171700 1.0 Ti Ti6 1 0.33837000 0.82089500 0.53157000 1.0 Ti Ti7 1 0.92261600 0.50284900 0.18447600 1.0 Ti Ti8 1 0.42525000 0.51955800 0.17928100 1.0 O O9 1 0.83014300 0.35463300 0.94563900 1.0 O O10 1 0.32255500 0.35649400 0.94458500 1.0 O O11 1 0.97828800 0.30405600 0.61759900 1.0 O O12 1 0.48470100 0.30622200 0.61374100 1.0 O O13 1 0.85280000 0.03666900 0.35463000 1.0 O O14 1 0.34603500 0.03764000 0.35718200 1.0 O O15 1 0.84062000 0.64303300 0.72054400 1.0 O O16 1 0.34024800 0.63474400 0.71533200 1.0 O O17 1 0.66052300 0.36502300 0.28492100 1.0 O O18 1 0.16228200 0.35700900 0.27917400 1.0 O O19 1 0.14940900 0.96314000 0.64593600 1.0 O O20 1 0.65588500 0.96219000 0.64169900 1.0 O O21 1 0.02373600 0.69604900 0.38254100 1.0 O O22 1 0.51636300 0.69359900 0.38629900 1.0 O O23 1 0.67964300 0.64299600 0.05563900 1.0 O O24 1 0.17281300 0.64625600 0.05439400 1.0