# generated using pymatgen data_RbFeS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21071659 _cell_length_b 7.21071659 _cell_length_c 7.21071659 _cell_angle_alpha 136.45433878 _cell_angle_beta 123.62515125 _cell_angle_gamma 73.82436661 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbFeS2 _chemical_formula_sum 'Rb2 Fe2 S4' _cell_volume 210.08951390 _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 Rb Rb0 1 0.32606860 0.32606860 0.00000000 1.0 Rb Rb1 1 0.67393140 0.67393140 0.00000000 1.0 Fe Fe2 1 -0.00000000 0.25015677 0.25015677 1.0 Fe Fe3 1 -0.00000000 0.74984323 0.74984323 1.0 S S4 1 0.15294762 0.65294762 0.50000000 1.0 S S5 1 0.84705238 0.34705238 0.50000000 1.0 S S6 1 0.74446458 0.00000000 0.74446458 1.0 S S7 1 0.25553542 -0.00000000 0.25553542 1.0