data_[Ce8Zn4Hg8]
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 [C2/m]
_cell_length_a [10.8531]
_cell_length_b [4.7574]
_cell_length_c [9.7479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2ZnHg2]
_chemical_formula_sum '[Ce8 Zn4 Hg8]'
_cell_volume [485.4801]
_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  0.0510  0.0000  0.3796  1
  Ce  Ce1  4  0.1842  0.0000  0.0521  1
  Zn  Zn2  4  0.2451  0.5000  0.2861  1
  Hg  Hg3  4  0.0075  0.5000  0.8524  1
  Hg  Hg4  4  0.1469  0.5000  0.6024  1
]