# generated using pymatgen data_Sr2Ti6O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57413263 _cell_length_b 7.57413263 _cell_length_c 9.12410206 _cell_angle_alpha 82.33873707 _cell_angle_beta 82.33873707 _cell_angle_gamma 29.86184855 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ti6O13 _chemical_formula_sum 'Sr2 Ti6 O13' _cell_volume 258.12701069 _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 Sr Sr0 1 0.55099923 0.55099923 0.21612479 1.0 Sr Sr1 1 0.44900077 0.44900077 0.78387521 1.0 Ti Ti2 1 0.87852329 0.87852329 0.10044720 1.0 Ti Ti3 1 0.12147671 0.12147671 0.89955280 1.0 Ti Ti4 1 0.83547699 0.83547699 0.44413120 1.0 Ti Ti5 1 0.16452301 0.16452301 0.55586880 1.0 Ti Ti6 1 0.75481873 0.75481873 0.77264025 1.0 Ti Ti7 1 0.24518127 0.24518127 0.22735975 1.0 O O8 1 -0.00000000 -0.00000000 0.00000000 1.0 O O9 1 0.75775266 0.75775266 0.24981528 1.0 O O10 1 0.24224734 0.24224734 0.75018472 1.0 O O11 1 0.93519565 0.93519565 0.30058939 1.0 O O12 1 0.06480435 0.06480435 0.69941061 1.0 O O13 1 0.69818500 0.69818500 0.56852505 1.0 O O14 1 0.30181500 0.30181500 0.43147495 1.0 O O15 1 0.87466921 0.87466921 0.62282654 1.0 O O16 1 0.12533079 0.12533079 0.37717346 1.0 O O17 1 0.62510132 0.62510132 0.88562538 1.0 O O18 1 0.37489868 0.37489868 0.11437462 1.0 O O19 1 0.83047992 0.83047992 0.91655537 1.0 O O20 1 0.16952008 0.16952008 0.08344463 1.0