# generated using pymatgen data_BaTi8O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91931002 _cell_length_b 7.27558357 _cell_length_c 7.38135269 _cell_angle_alpha 89.26315949 _cell_angle_beta 101.61838947 _cell_angle_gamma 101.84981991 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi8O16 _chemical_formula_sum 'Ba1 Ti8 O16' _cell_volume 304.60490524 _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 0.00226383 -0.00009905 0.00004238 1.0 Ti Ti1 1 0.57861624 0.48159744 0.82041004 1.0 Ti Ti2 1 0.07744575 0.49467485 0.81535622 1.0 Ti Ti3 1 0.66418339 0.17881255 0.46893270 1.0 Ti Ti4 1 0.17106106 0.18746447 0.48740439 1.0 Ti Ti5 1 0.83228345 0.81250728 0.51257641 1.0 Ti Ti6 1 0.33919142 0.82116357 0.53106837 1.0 Ti Ti7 1 0.92565933 0.50518595 0.18465118 1.0 Ti Ti8 1 0.42456220 0.51850058 0.17949732 1.0 O O9 1 0.83139778 0.35412077 0.94805507 1.0 O O10 1 0.32337978 0.35770241 0.94670959 1.0 O O11 1 0.97779852 0.30307842 0.61801883 1.0 O O12 1 0.48729690 0.30435450 0.61489283 1.0 O O13 1 0.85404570 0.03754434 0.35404838 1.0 O O14 1 0.34691634 0.03792491 0.35790059 1.0 O O15 1 0.83901694 0.64230354 0.71905252 1.0 O O16 1 0.34144670 0.63224740 0.71332830 1.0 O O17 1 0.66160795 0.36780494 0.28668869 1.0 O O18 1 0.16422694 0.35778001 0.28100932 1.0 O O19 1 0.14929671 0.96246844 0.64595922 1.0 O O20 1 0.65639342 0.96210721 0.64204229 1.0 O O21 1 0.02545052 0.69694219 0.38192682 1.0 O O22 1 0.51597319 0.69562654 0.38514853 1.0 O O23 1 0.67967224 0.64226841 0.05326323 1.0 O O24 1 0.17186770 0.64591535 0.05202077 1.0