data_[Cs16Na4Hg4]
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 [C2/c]
_cell_length_a [12.4361]
_cell_length_b [18.6526]
_cell_length_c [8.4239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs4NaHg]
_chemical_formula_sum '[Cs16 Na4 Hg4]'
_cell_volume [1789.9300]
_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  8  0.1113  0.1721  0.5713  1
  Cs  Cs1  8  0.2124  0.4274  0.8376  1
  Na  Na2  4  0.0000  0.3713  0.2500  1
  Hg  Hg3  4  0.0000  0.0022  0.2500  1
]