data_[Cd4Rh8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.8031]
_cell_length_b [4.3550]
_cell_length_c [5.6826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdRh2S]
_chemical_formula_sum '[Cd4 Rh8 S4]'
_cell_volume [282.2737]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  4  0.1221  0.6953  0.3221  1.0
  Rh  Rh1  4  0.1937  0.8655  0.8564  1.0
  Rh  Rh2  2  0.0000  0.1474  0.5000  1.0
  Rh  Rh3  2  0.0000  0.1814  0.0000  1.0
  S  S4  4  0.1313  0.3657  0.8096  1.0
]