# generated using pymatgen data_Sr2FeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29216265 _cell_length_b 13.36544521 _cell_length_c 5.29216254 _cell_angle_alpha 79.67474282 _cell_angle_beta 84.52266892 _cell_angle_gamma 100.32525950 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2FeO3 _chemical_formula_sum 'Sr8 Fe4 O12' _cell_volume 359.13924492 _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 0.57429314 0.14862368 0.92570707 1.0 Sr Sr1 1 0.82428190 0.64860192 0.17571794 1.0 Sr Sr2 1 0.07429308 0.14862353 0.42570750 1.0 Sr Sr3 1 0.32428237 0.64860283 0.67571776 1.0 Sr Sr4 1 0.67571641 0.35139704 0.32428423 1.0 Sr Sr5 1 0.92570660 0.85137634 0.57429350 1.0 Sr Sr6 1 0.17571672 0.35139803 0.82428340 1.0 Sr Sr7 1 0.42570666 0.85137609 0.07429358 1.0 Fe Fe8 1 0.49999291 -0.00000020 0.50000724 1.0 Fe Fe9 1 0.74999237 0.50000003 0.75000749 1.0 Fe Fe10 1 -0.00000667 0.00000000 0.00000705 1.0 Fe Fe11 1 0.24999213 0.49999988 0.25000772 1.0 O O12 1 0.25000806 -0.00000004 0.24998925 1.0 O O13 1 0.50001144 0.50000003 0.49999078 1.0 O O14 1 0.75001084 -0.00000006 0.74999203 1.0 O O15 1 0.00000946 0.50000002 -0.00001153 1.0 O O16 1 0.67194556 0.34382610 0.82805500 1.0 O O17 1 0.92193492 0.84380874 0.07806529 1.0 O O18 1 0.17194266 0.34382818 0.32805792 1.0 O O19 1 0.42193507 0.84380808 0.57806485 1.0 O O20 1 0.57806428 0.15619158 0.42193577 1.0 O O21 1 0.82805319 0.65617401 0.67194741 1.0 O O22 1 0.07806512 0.15619146 0.92193506 1.0 O O23 1 0.32805577 0.65617176 0.17194468 1.0