# generated using pymatgen data_Sr2Ca2TiMn3O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75068900 _cell_length_b 7.71479900 _cell_length_c 7.71669960 _cell_angle_alpha 89.95294093 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca2TiMn3O12 _chemical_formula_sum 'Sr4 Ca4 Ti2 Mn6 O24' _cell_volume 461.41995689 _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 0.00000000 0.24688800 0.75381500 1.0 Sr Sr1 1 0.00000000 0.75319000 0.75388100 1.0 Sr Sr2 1 0.50000000 0.75344800 0.75373800 1.0 Sr Sr3 1 0.50000000 0.24656600 0.24608300 1.0 Ca Ca4 1 0.00000000 0.24524100 0.24539800 1.0 Ca Ca5 1 0.00000000 0.75475200 0.24538400 1.0 Ca Ca6 1 0.50000000 0.24564200 0.75449100 1.0 Ca Ca7 1 0.50000000 0.75422100 0.24528200 1.0 Ti Ti8 1 0.25001100 0.50000100 0.49726900 1.0 Ti Ti9 1 0.74998900 0.50000100 0.49726900 1.0 Mn Mn10 1 0.25010400 0.00011200 0.00110200 1.0 Mn Mn11 1 0.25008200 0.49995700 0.00076500 1.0 Mn Mn12 1 0.25008200 0.00006900 0.49845700 1.0 Mn Mn13 1 0.74989600 0.00011200 0.00110200 1.0 Mn Mn14 1 0.74991800 0.49995700 0.00076500 1.0 Mn Mn15 1 0.74991800 0.00006900 0.49845700 1.0 O O16 1 0.00000000 0.00001500 0.00704100 1.0 O O17 1 0.00000000 0.49995000 0.00750000 1.0 O O18 1 0.00000000 0.00005000 0.49277200 1.0 O O19 1 0.00000000 0.49998800 0.49610100 1.0 O O20 1 0.50000000 0.99992100 0.00100900 1.0 O O21 1 0.50000000 0.50004700 0.00066900 1.0 O O22 1 0.50000000 0.99996100 0.49925300 1.0 O O23 1 0.50000000 0.50006000 0.49852600 1.0 O O24 1 0.25298100 0.00311700 0.75019500 1.0 O O25 1 0.25179000 0.49824900 0.75334200 1.0 O O26 1 0.24711600 0.99699200 0.24984800 1.0 O O27 1 0.24838800 0.50155400 0.24674100 1.0 O O28 1 0.74701900 0.00311700 0.75019500 1.0 O O29 1 0.74821000 0.49824900 0.75334200 1.0 O O30 1 0.75288400 0.99699200 0.24984800 1.0 O O31 1 0.75161200 0.50155400 0.24674100 1.0 O O32 1 0.24994000 0.24980700 0.00084900 1.0 O O33 1 0.25002600 0.75014700 0.00699300 1.0 O O34 1 0.24993700 0.24674400 0.49861600 1.0 O O35 1 0.25004100 0.75328100 0.49535300 1.0 O O36 1 0.75006000 0.24980700 0.00084900 1.0 O O37 1 0.74997400 0.75014700 0.00699300 1.0 O O38 1 0.75006300 0.24674400 0.49861600 1.0 O O39 1 0.74995900 0.75328100 0.49535300 1.0