# generated using pymatgen data_Sr2TiFeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93677400 _cell_length_b 15.74756400 _cell_length_c 7.83987501 _cell_angle_alpha 89.99994166 _cell_angle_beta 90.00565177 _cell_angle_gamma 89.99997453 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TiFeO6 _chemical_formula_sum 'Sr8 Ti4 Fe4 O24' _cell_volume 486.02991756 _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 0.50000500 0.12502100 0.25540500 1.0 Sr Sr1 1 0.50000500 0.37499900 0.25509600 1.0 Sr Sr2 1 0.50000200 0.62498200 0.25540400 1.0 Sr Sr3 1 0.50000400 0.87499900 0.25511900 1.0 Sr Sr4 1 0.49999600 0.12502100 0.74459400 1.0 Sr Sr5 1 0.49999600 0.37499900 0.74490300 1.0 Sr Sr6 1 0.49999600 0.62498100 0.74459500 1.0 Sr Sr7 1 0.49999800 0.87499800 0.74488100 1.0 Ti Ti8 1 0.00000100 0.99986100 0.00000100 1.0 Ti Ti9 1 0.00000000 0.25014000 0.00000000 1.0 Ti Ti10 1 0.00000200 0.49986000 0.00000000 1.0 Ti Ti11 1 0.00000000 0.75013900 0.99999900 1.0 Fe Fe12 1 0.00000100 0.24945600 0.49999900 1.0 Fe Fe13 1 0.99999900 0.50054500 0.50000100 1.0 Fe Fe14 1 0.00000100 0.00055300 0.50000100 1.0 Fe Fe15 1 0.00000000 0.74944600 0.50000100 1.0 O O16 1 0.00001600 0.99988700 0.24986900 1.0 O O17 1 0.00001700 0.25011300 0.24986700 1.0 O O18 1 0.00001600 0.49988700 0.24986600 1.0 O O19 1 0.00002000 0.75011300 0.24987200 1.0 O O20 1 0.99998500 0.99988800 0.75013200 1.0 O O21 1 0.99998100 0.25011300 0.75013100 1.0 O O22 1 0.99998500 0.49988600 0.75013200 1.0 O O23 1 0.99998400 0.75011300 0.75013000 1.0 O O24 1 0.00000000 0.12500000 0.00000000 1.0 O O25 1 0.99999800 0.37500200 0.00000100 1.0 O O26 1 0.99999700 0.62499900 0.00000100 1.0 O O27 1 0.99999900 0.87500000 0.00000000 1.0 O O28 1 0.50000100 0.99998300 0.00000000 1.0 O O29 1 0.49999900 0.25001500 0.00000000 1.0 O O30 1 0.49999800 0.49998600 0.00000000 1.0 O O31 1 0.50000000 0.75001600 0.99999900 1.0 O O32 1 0.99999900 0.12500600 0.50000000 1.0 O O33 1 0.00000000 0.37500100 0.50000000 1.0 O O34 1 0.00000100 0.62499500 0.50000000 1.0 O O35 1 0.99999900 0.87499900 0.50000000 1.0 O O36 1 0.50000100 0.99964100 0.50000200 1.0 O O37 1 0.49999900 0.25036200 0.50000100 1.0 O O38 1 0.50000100 0.49963600 0.50000100 1.0 O O39 1 0.49999800 0.75036000 0.49999900 1.0