# generated using pymatgen data_Sr2TiMnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93313800 _cell_length_b 8.70368428 _cell_length_c 7.80516800 _cell_angle_alpha 63.35970555 _cell_angle_beta 89.99921028 _cell_angle_gamma 89.99992737 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TiMnO6 _chemical_formula_sum 'Sr4 Ti2 Mn2 O12' _cell_volume 238.82727703 _cell_formula_units_Z 2 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 0.50000100 0.25533600 0.12231500 1.0 Sr Sr1 1 0.50000000 0.25533400 0.62233100 1.0 Sr Sr2 1 0.50000000 0.74466500 0.87766900 1.0 Sr Sr3 1 0.49999900 0.74466500 0.37768300 1.0 Ti Ti4 1 0.00000000 0.00000100 0.49999800 1.0 Ti Ti5 1 0.00000000 0.99999500 0.00000200 1.0 Mn Mn6 1 0.00000500 0.50000200 0.25000300 1.0 Mn Mn7 1 0.99999500 0.50000000 0.75000200 1.0 O O8 1 0.00000000 0.25369400 0.37317900 1.0 O O9 1 0.99999900 0.25368700 0.87318100 1.0 O O10 1 0.00000100 0.74630500 0.12682200 1.0 O O11 1 0.00000000 0.74631300 0.62681800 1.0 O O12 1 0.00000000 0.00000100 0.25000000 1.0 O O13 1 0.00000000 0.00000100 0.74999900 1.0 O O14 1 0.50000000 0.99999900 0.50000000 1.0 O O15 1 0.50000000 0.00000200 0.99999800 1.0 O O16 1 0.00000000 0.49999900 0.00000500 1.0 O O17 1 0.00000000 0.50000000 0.49999400 1.0 O O18 1 0.50000000 0.50000000 0.25000000 1.0 O O19 1 0.50000000 0.50000000 0.74999900 1.0