# generated using pymatgen data_Sr2FeCuSO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95193000 _cell_length_b 3.95193000 _cell_length_c 15.75036400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2FeCuSO3 _chemical_formula_sum 'Sr4 Fe2 Cu2 S2 O6' _cell_volume 245.98525878 _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 0.50000000 0.18416100 1.0 Sr Sr1 1 0.50000000 0.00000000 0.81583900 1.0 Sr Sr2 1 0.00000000 0.50000000 0.41233000 1.0 Sr Sr3 1 0.50000000 0.00000000 0.58767000 1.0 Fe Fe4 1 0.50000000 0.00000000 0.30958400 1.0 Fe Fe5 1 0.00000000 0.50000000 0.69041600 1.0 Cu Cu6 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu7 1 0.50000000 0.50000000 0.00000000 1.0 S S8 1 0.50000000 0.00000000 0.08965500 1.0 S S9 1 0.00000000 0.50000000 0.91034500 1.0 O O10 1 0.00000000 0.00000000 0.28833200 1.0 O O11 1 0.50000000 0.50000000 0.28833200 1.0 O O12 1 0.50000000 0.50000000 0.71166800 1.0 O O13 1 0.00000000 0.00000000 0.71166800 1.0 O O14 1 0.50000000 0.00000000 0.43214400 1.0 O O15 1 0.00000000 0.50000000 0.56785600 1.0