data_[Cs4Na12Hg8]
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/m]
_cell_length_a [19.0239]
_cell_length_b [5.3555]
_cell_length_c [10.2336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNa3Hg2]
_chemical_formula_sum '[Cs4 Na12 Hg8]'
_cell_volume [945.1241]
_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  0.1542  0.0000  0.0669  1.0
  Na  Na1  4  0.0399  0.0000  0.3641  1.0
  Na  Na2  4  0.0885  0.5000  0.6731  1.0
  Na  Na3  4  0.1854  0.5000  0.4532  1.0
  Hg  Hg4  4  0.0226  0.5000  0.1632  1.0
  Hg  Hg5  4  0.1844  0.0000  0.6764  1.0
]