# generated using pymatgen data_BaTi2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75671549 _cell_length_b 8.75671549 _cell_length_c 9.69479512 _cell_angle_alpha 77.44445345 _cell_angle_beta 77.44445345 _cell_angle_gamma 25.83605070 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi2O5 _chemical_formula_sum 'Ba3 Ti6 O15' _cell_volume 315.81041942 _cell_formula_units_Z 3 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 0.50000000 0.50000000 0.50000000 1.0 Ba Ba1 1 0.36867000 0.36867000 0.98680500 1.0 Ba Ba2 1 0.63133000 0.63133000 0.01319500 1.0 Ti Ti3 1 0.83273600 0.83273600 0.69861200 1.0 Ti Ti4 1 0.16726400 0.16726400 0.30138800 1.0 Ti Ti5 1 0.20502800 0.20502800 0.62645900 1.0 Ti Ti6 1 0.79497200 0.79497200 0.37354100 1.0 Ti Ti7 1 0.03792200 0.03792200 0.79115700 1.0 Ti Ti8 1 0.96207800 0.96207800 0.20884300 1.0 O O9 1 0.00000000 0.00000000 0.00000000 1.0 O O10 1 0.94175100 0.94175100 0.71070200 1.0 O O11 1 0.05824900 0.05824900 0.28929800 1.0 O O12 1 0.78942800 0.78942800 0.87867400 1.0 O O13 1 0.21057200 0.21057200 0.12132600 1.0 O O14 1 0.73572100 0.73572100 0.60017500 1.0 O O15 1 0.26427900 0.26427900 0.39982500 1.0 O O16 1 0.67563800 0.67563800 0.33765200 1.0 O O17 1 0.32436200 0.32436200 0.66234800 1.0 O O18 1 0.46647700 0.46647700 0.20672500 1.0 O O19 1 0.53352300 0.53352300 0.79327500 1.0 O O20 1 0.89328300 0.89328300 0.42265400 1.0 O O21 1 0.10671700 0.10671700 0.57734600 1.0 O O22 1 0.84782100 0.84782100 0.18782200 1.0 O O23 1 0.15217900 0.15217900 0.81217800 1.0