data_[Rh8S16]
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
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [3.3846]
_cell_length_b [5.8614]
_cell_length_c [28.0571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [RhS2]
_chemical_formula_sum '[Rh8 S16]'
_cell_volume [556.6059]
_cell_formula_units_Z [8]
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  8  0.2405  0.4995  0.0899  1
  S  S1  8  0.2405  0.1662  0.0334  1
  S  S2  8  0.2405  0.1663  0.1348  1
]