data_[Cd8B12Rh36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9553]
_cell_length_b [6.7382]
_cell_length_c [9.5308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2(BRh3)3]
_chemical_formula_sum '[Cd8 B12 Rh36]'
_cell_volume [752.1315]
_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  8  0.1879  0.4100  0.7521  1
  B  B1  8  0.0987  0.1973  0.0050  1
  B  B2  4  0.2500  0.2500  0.5000  1
  Rh  Rh3  8  0.0500  0.4850  0.9058  1
  Rh  Rh4  8  0.0914  0.1287  0.5338  1
  Rh  Rh5  8  0.1064  0.2148  0.2360  1
  Rh  Rh6  8  0.2253  0.0674  0.9346  1
  Rh  Rh7  4  0.0000  0.1357  0.7500  1
]