# generated using pymatgen data_KFe3(SO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64098072 _cell_length_b 7.64098072 _cell_length_c 7.64098124 _cell_angle_alpha 54.51807067 _cell_angle_beta 54.51807067 _cell_angle_gamma 54.51807172 _symmetry_Int_Tables_number 1 _chemical_formula_structural KFe3(SO7)2 _chemical_formula_sum 'K1 Fe3 S2 O14' _cell_volume 275.13865361 _cell_formula_units_Z 1 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 K K0 1 0.00049200 0.00049200 0.00049200 1.0 Fe Fe1 1 0.00327000 0.48671600 0.00327000 1.0 Fe Fe2 1 0.00327000 0.00327000 0.48671600 1.0 Fe Fe3 1 0.48671600 0.00327000 0.00327000 1.0 S S4 1 0.70327900 0.70327900 0.70327900 1.0 S S5 1 0.29616000 0.29616000 0.29616000 1.0 O O6 1 0.62894500 0.62894500 0.62894500 1.0 O O7 1 0.37060200 0.37060200 0.37060200 1.0 O O8 1 0.84650400 0.49614100 0.84650400 1.0 O O9 1 0.84650400 0.84650400 0.49614100 1.0 O O10 1 0.49614100 0.84650400 0.84650400 1.0 O O11 1 0.15299000 0.50196400 0.15299000 1.0 O O12 1 0.15299000 0.15299000 0.50196400 1.0 O O13 1 0.50196400 0.15299000 0.15299000 1.0 O O14 1 0.74922000 0.08319200 0.74922000 1.0 O O15 1 0.74922000 0.74922000 0.08319200 1.0 O O16 1 0.08319200 0.74922000 0.74922000 1.0 O O17 1 0.27126400 0.88611100 0.27126400 1.0 O O18 1 0.27126400 0.27126400 0.88611100 1.0 O O19 1 0.88611100 0.27126400 0.27126400 1.0