data_[Rh1S6I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3067]
_cell_length_b [7.8182]
_cell_length_c [8.0361]
_cell_angle_alpha [117.5598]
_cell_angle_beta [90.0311]
_cell_angle_gamma [92.4572]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rh(S3I)2]
_chemical_formula_sum '[Rh1 S6 I2]'
_cell_volume [239.5936]
_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
[
  Rh  Rh0  1  0.0000  0.0000  0.0000  1.0
  S  S1  2  0.1029  0.4863  0.7290  1.0
  S  S2  2  0.1170  0.7411  0.4949  1.0
  S  S3  2  0.1171  0.2758  0.2787  1.0
  I  I4  2  0.4744  0.1462  0.8674  1.0
]