# generated using pymatgen data_Sr2FeSO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00480800 _cell_length_b 4.00512000 _cell_length_c 14.50075100 _cell_angle_alpha 89.99982329 _cell_angle_beta 90.00005232 _cell_angle_gamma 90.00291846 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2FeSO3 _chemical_formula_sum 'Sr4 Fe2 S2 O6' _cell_volume 232.58822664 _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 0.75000000 0.75000100 0.16169000 1.0 Sr Sr1 1 0.25000100 0.24999900 0.83832300 1.0 Sr Sr2 1 0.75000200 0.75000100 0.40726300 1.0 Sr Sr3 1 0.25000000 0.25000000 0.59272500 1.0 Fe Fe4 1 0.24999700 0.25000600 0.29197600 1.0 Fe Fe5 1 0.75000200 0.74999700 0.70799600 1.0 S S6 1 0.25000100 0.25000000 0.11054000 1.0 S S7 1 0.75000000 0.75000000 0.88949100 1.0 O O8 1 0.75000100 0.25000300 0.28408100 1.0 O O9 1 0.25000000 0.75000200 0.28408800 1.0 O O10 1 0.24999900 0.74999600 0.71592000 1.0 O O11 1 0.74999800 0.24999900 0.71591300 1.0 O O12 1 0.25000000 0.25000100 0.42455700 1.0 O O13 1 0.75000000 0.74999900 0.57543800 1.0