data_[Th6Cd3Rh27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2645]
_cell_length_b [5.2645]
_cell_length_c [26.7888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2CdRh9]
_chemical_formula_sum '[Th6 Cd3 Rh27]'
_cell_volume [642.9706]
_cell_formula_units_Z [3]
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
[
  Th  Th0  6  0.0000  0.0000  0.1343  1
  Cd  Cd1  3  0.0000  0.0000  0.0000  1
  Rh  Rh2  18  0.0013  0.5007  0.9179  1
  Rh  Rh3  6  0.0000  0.0000  0.3329  1
  Rh  Rh4  3  -0.0000  -0.0000  0.5000  1
]