data_[Rh6S12]
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 [C2/m]
_cell_length_a [17.7957]
_cell_length_b [3.5869]
_cell_length_c [4.6779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RhS2]
_chemical_formula_sum '[Rh6 S12]'
_cell_volume [298.5969]
_cell_formula_units_Z [6]
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  4  0.1593  0.5000  0.9799  1.0
  Rh  Rh1  2  0.0000  0.0000  0.5000  1.0
  S  S2  4  0.0392  0.5000  0.1917  1.0
  S  S3  4  0.1232  0.0000  0.6886  1.0
  S  S4  4  0.2169  0.0000  0.2407  1.0
]