# generated using pymatgen data_Sr2TiMnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75112613 _cell_length_b 6.75112497 _cell_length_c 11.67620340 _cell_angle_alpha 78.78873052 _cell_angle_beta 78.78873532 _cell_angle_gamma 109.11513127 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TiMnO6 _chemical_formula_sum 'Sr8 Ti4 Mn4 O24' _cell_volume 473.72594534 _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 0.74999400 0.24999400 0.50001200 1.0 Sr Sr1 1 0.50000600 0.00000600 0.99998800 1.0 Sr Sr2 1 0.24999400 0.74999400 0.50001200 1.0 Sr Sr3 1 0.00000600 0.50000600 0.99998800 1.0 Sr Sr4 1 0.37500400 0.37500400 0.74999800 1.0 Sr Sr5 1 0.12499700 0.12499600 0.25000200 1.0 Sr Sr6 1 0.87500400 0.87500400 0.74999800 1.0 Sr Sr7 1 0.62499500 0.62499500 0.25000100 1.0 Ti Ti8 1 0.87500000 0.37500000 0.75000000 1.0 Ti Ti9 1 0.62501200 0.12498800 0.25000000 1.0 Ti Ti10 1 0.37500000 0.87500000 0.75000000 1.0 Ti Ti11 1 0.12498900 0.62501200 0.25000000 1.0 Mn Mn12 1 0.50003500 0.50003400 0.99993000 1.0 Mn Mn13 1 0.24996300 0.24996500 0.50007200 1.0 Mn Mn14 1 0.74996200 0.74995900 0.50007800 1.0 Mn Mn15 1 0.00003700 0.00004100 0.99992000 1.0 O O16 1 0.49997200 0.49997200 0.49999000 1.0 O O17 1 0.25002900 0.25002900 0.00001000 1.0 O O18 1 0.00003800 0.00003800 0.49999000 1.0 O O19 1 0.74996200 0.74996200 0.00001000 1.0 O O20 1 0.62499200 0.12499200 0.75000100 1.0 O O21 1 0.37500800 0.87500800 0.24999900 1.0 O O22 1 0.12499200 0.62499200 0.75000100 1.0 O O23 1 0.87500800 0.37500800 0.25000000 1.0 O O24 1 0.81180900 0.56460100 0.62358900 1.0 O O25 1 0.56179200 0.31460000 0.12361100 1.0 O O26 1 0.31180100 0.06462900 0.62357100 1.0 O O27 1 0.06180200 0.81457400 0.12362700 1.0 O O28 1 0.93819400 0.18539300 0.87641100 1.0 O O29 1 0.68819600 0.93543200 0.37637300 1.0 O O30 1 0.43820200 0.68536500 0.87643000 1.0 O O31 1 0.18820600 0.43540600 0.37638900 1.0 O O32 1 0.68536500 0.43820200 0.87643000 1.0 O O33 1 0.43540600 0.18820600 0.37638900 1.0 O O34 1 0.18539300 0.93819400 0.87641000 1.0 O O35 1 0.93543200 0.68819600 0.37637300 1.0 O O36 1 0.06462800 0.31180000 0.62357100 1.0 O O37 1 0.81457400 0.06180200 0.12362700 1.0 O O38 1 0.56460100 0.81180800 0.62358900 1.0 O O39 1 0.31460100 0.56179200 0.12361100 1.0