data_[Ce16Th2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7472]
_cell_length_b [6.5773]
_cell_length_c [6.5670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8ThRh2]
_chemical_formula_sum '[Ce16 Th2 Rh4]'
_cell_volume [583.5027]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  8  0.1118  0.2425  0.4015  1
  Ce  Ce1  4  0.0371  0.5000  0.8215  1
  Ce  Ce2  4  0.2236  0.0000  0.8626  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Rh  Rh4  4  0.2288  0.5000  0.7028  1
]