data_[Na2Ce4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1864]
_cell_length_b [7.2684]
_cell_length_c [15.1900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na(CeHg4)2]
_chemical_formula_sum '[Na2 Ce4 Hg16]'
_cell_volume [572.6215]
_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
[
  Na  Na0  2  0.0000  0.5000  0.5000  1
  Ce  Ce1  4  0.0000  0.5000  0.1998  1
  Hg  Hg2  8  0.0000  0.2149  0.3628  1
  Hg  Hg3  4  0.0000  0.0000  0.1610  1
  Hg  Hg4  4  0.0000  0.2876  0.0000  1
]