data_[Fe8Rh16S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.9136]
_cell_length_b [9.9136]
_cell_length_c [9.9136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Fe(RhS2)2]
_chemical_formula_sum '[Fe8 Rh16 S32]'
_cell_volume [974.3098]
_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
[
  Fe  Fe0  8  0.0000  0.0000  0.0000  1.0
  Rh  Rh1  16  0.1250  0.1250  0.6250  1.0
  S  S2  32  0.1160  0.1160  0.3840  1.0
]