data_[Cs4Na8Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2322]
_cell_length_b [5.2322]
_cell_length_c [33.4252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [CsNa2Hg3]
_chemical_formula_sum '[Cs4 Na8 Hg12]'
_cell_volume [915.0500]
_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
[
  Cs  Cs0  4  0.0000  0.0000  0.1436  1.0
  Na  Na1  4  0.0000  0.0000  0.4049  1.0
  Na  Na2  4  0.0000  0.5000  0.2500  1.0
  Hg  Hg3  8  0.0000  0.5000  0.0445  1.0
  Hg  Hg4  4  0.0000  0.0000  0.3091  1.0
]