data_[Ce16Hg4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.9048]
_cell_length_b [8.6175]
_cell_length_c [9.0995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ce4HgRh2]
_chemical_formula_sum '[Ce16 Hg4 Rh8]'
_cell_volume [706.8897]
_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
[
  Ce  Ce0  4  0.0566  0.3297  0.7208  1.0
  Ce  Ce1  4  0.0821  0.9202  0.8992  1.0
  Ce  Ce2  4  0.1664  0.5829  0.2321  1.0
  Ce  Ce3  4  0.1825  0.6697  0.6075  1.0
  Hg  Hg4  2  0.0000  0.2485  0.0000  1.0
  Hg  Hg5  2  0.0000  0.9941  0.5000  1.0
  Rh  Rh6  4  0.1415  0.6224  0.8894  1.0
  Rh  Rh7  4  0.2414  0.8766  0.3869  1.0
]