# generated using pymatgen data_TbTiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36562100 _cell_length_b 5.71340000 _cell_length_c 7.72340100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTiO3 _chemical_formula_sum 'Tb4 Ti4 O12' _cell_volume 236.76811009 _cell_formula_units_Z 4 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 Tb Tb0 1 0.02110400 0.93021100 0.75000000 1.0 Tb Tb1 1 0.47889600 0.43021100 0.75000000 1.0 Tb Tb2 1 0.52110400 0.56978900 0.25000000 1.0 Tb Tb3 1 0.97889600 0.06978900 0.25000000 1.0 Ti Ti4 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti5 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti6 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti7 1 0.50000000 0.00000000 0.50000000 1.0 O O8 1 0.11769400 0.45696700 0.25000000 1.0 O O9 1 0.19213000 0.19905900 0.55762400 1.0 O O10 1 0.19213000 0.19905900 0.94237600 1.0 O O11 1 0.30787000 0.69905900 0.94237600 1.0 O O12 1 0.30787000 0.69905900 0.55762400 1.0 O O13 1 0.38230600 0.95696700 0.25000000 1.0 O O14 1 0.61769400 0.04303300 0.75000000 1.0 O O15 1 0.69213000 0.30094100 0.05762400 1.0 O O16 1 0.69213000 0.30094100 0.44237600 1.0 O O17 1 0.80787000 0.80094100 0.05762400 1.0 O O18 1 0.80787000 0.80094100 0.44237600 1.0 O O19 1 0.88230600 0.54303300 0.75000000 1.0