# generated using pymatgen data_Sr2TiMnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83290100 _cell_length_b 7.83290100 _cell_length_c 7.83290100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TiMnO6 _chemical_formula_sum 'Sr8 Ti4 Mn4 O24' _cell_volume 480.58245607 _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 0.24804600 0.24804600 0.24804600 1.0 Sr Sr1 1 0.24804600 0.24804600 0.75195400 1.0 Sr Sr2 1 0.24804600 0.75195400 0.24804600 1.0 Sr Sr3 1 0.24804600 0.75195400 0.75195400 1.0 Sr Sr4 1 0.75195400 0.24804600 0.24804600 1.0 Sr Sr5 1 0.75195400 0.24804600 0.75195400 1.0 Sr Sr6 1 0.75195400 0.75195400 0.24804600 1.0 Sr Sr7 1 0.75195400 0.75195400 0.75195400 1.0 Ti Ti8 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti9 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti10 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti11 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn12 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn13 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn14 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn15 1 0.50000000 0.00000000 0.00000000 1.0 O O16 1 0.25117400 0.00000000 0.00000000 1.0 O O17 1 0.24758900 0.00000000 0.50000000 1.0 O O18 1 0.24758900 0.50000000 0.00000000 1.0 O O19 1 0.24966200 0.50000000 0.50000000 1.0 O O20 1 0.74882600 0.00000000 0.00000000 1.0 O O21 1 0.75241100 0.00000000 0.50000000 1.0 O O22 1 0.75241100 0.50000000 0.00000000 1.0 O O23 1 0.75033800 0.50000000 0.50000000 1.0 O O24 1 0.00000000 0.25117400 0.00000000 1.0 O O25 1 0.00000000 0.24758900 0.50000000 1.0 O O26 1 0.00000000 0.74882600 0.00000000 1.0 O O27 1 0.00000000 0.75241100 0.50000000 1.0 O O28 1 0.50000000 0.24758900 0.00000000 1.0 O O29 1 0.50000000 0.24966200 0.50000000 1.0 O O30 1 0.50000000 0.75241100 0.00000000 1.0 O O31 1 0.50000000 0.75033800 0.50000000 1.0 O O32 1 0.00000000 0.00000000 0.25117400 1.0 O O33 1 0.00000000 0.00000000 0.74882600 1.0 O O34 1 0.00000000 0.50000000 0.24758900 1.0 O O35 1 0.00000000 0.50000000 0.75241100 1.0 O O36 1 0.50000000 0.00000000 0.24758900 1.0 O O37 1 0.50000000 0.00000000 0.75241100 1.0 O O38 1 0.50000000 0.50000000 0.24966200 1.0 O O39 1 0.50000000 0.50000000 0.75033800 1.0