data_[Ce6Zn16Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6279]
_cell_length_b [9.2211]
_cell_length_c [13.9017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3Zn8Hg3]
_chemical_formula_sum '[Ce6 Zn16 Hg6]'
_cell_volume [593.2383]
_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  4  0.0000  0.0000  0.2010  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  8  0.0000  0.2697  0.3491  1.0
  Zn  Zn3  8  0.0000  0.3658  0.1675  1.0
  Hg  Hg4  4  0.0000  0.2146  0.0000  1.0
  Hg  Hg5  2  0.0000  0.5000  0.5000  1.0
]