# generated using pymatgen data_Sr2Ti2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62891000 _cell_length_b 5.65345700 _cell_length_c 15.80429200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ti2O5 _chemical_formula_sum 'Sr8 Ti8 O20' _cell_volume 502.93683360 _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 Sr Sr0 1 0.00448400 0.49888300 0.11515200 1.0 Sr Sr1 1 0.49551600 0.99888300 0.38484800 1.0 Sr Sr2 1 0.99551600 0.50111700 0.61515200 1.0 Sr Sr3 1 0.50448400 0.00111700 0.88484800 1.0 Sr Sr4 1 0.99551600 0.50111700 0.88484800 1.0 Sr Sr5 1 0.50448400 0.00111700 0.61515200 1.0 Sr Sr6 1 0.00448400 0.49888300 0.38484800 1.0 Sr Sr7 1 0.49551600 0.99888300 0.11515200 1.0 Ti Ti8 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti9 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti10 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti11 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti12 1 0.52712300 0.47946200 0.25000000 1.0 Ti Ti13 1 0.97287700 0.97946200 0.25000000 1.0 Ti Ti14 1 0.47287700 0.52053800 0.75000000 1.0 Ti Ti15 1 0.02712300 0.02053800 0.75000000 1.0 O O16 1 0.24482200 0.74449800 0.99502500 1.0 O O17 1 0.25517800 0.24449800 0.50497500 1.0 O O18 1 0.75517800 0.25550200 0.49502500 1.0 O O19 1 0.74482200 0.75550200 0.00497500 1.0 O O20 1 0.75517800 0.25550200 0.00497500 1.0 O O21 1 0.74482200 0.75550200 0.49502500 1.0 O O22 1 0.24482200 0.74449800 0.50497500 1.0 O O23 1 0.25517800 0.24449800 0.99502500 1.0 O O24 1 0.47351100 0.49497300 0.12921800 1.0 O O25 1 0.02648900 0.99497300 0.37078200 1.0 O O26 1 0.52648900 0.50502700 0.62921800 1.0 O O27 1 0.97351100 0.00502700 0.87078200 1.0 O O28 1 0.52648900 0.50502700 0.87078200 1.0 O O29 1 0.97351100 0.00502700 0.62921800 1.0 O O30 1 0.47351100 0.49497300 0.37078200 1.0 O O31 1 0.02648900 0.99497300 0.12921800 1.0 O O32 1 0.79425600 0.69164600 0.25000000 1.0 O O33 1 0.70574400 0.19164600 0.25000000 1.0 O O34 1 0.20574400 0.30835400 0.75000000 1.0 O O35 1 0.29425600 0.80835400 0.75000000 1.0