data_[Cs20Na4Hg8]
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/mcm]
_cell_length_a [10.3454]
_cell_length_b [10.3454]
_cell_length_c [20.1241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Cs5NaHg2]
_chemical_formula_sum '[Cs20 Na4 Hg8]'
_cell_volume [2153.8311]
_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  16  0.1708  0.3292  0.3642  1
  Cs  Cs1  4  0.0000  0.0000  0.0000  1
  Na  Na2  4  0.0000  0.0000  0.2500  1
  Hg  Hg3  8  0.1092  0.6092  0.5000  1
]