data_[Cs12Hg162]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [16.8098]
_cell_length_b [16.8098]
_cell_length_c [16.8098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Cs2Hg27]
_chemical_formula_sum '[Cs12 Hg162]'
_cell_volume [4749.9099]
_cell_formula_units_Z [6]
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  12  0.0000  0.1957  0.5000  1
  Hg  Hg1  48  0.1439  0.3530  0.1752  1
  Hg  Hg2  24  0.0000  0.1007  0.2859  1
  Hg  Hg3  24  0.0000  0.1668  0.1049  1
  Hg  Hg4  24  0.0000  0.2756  0.2652  1
  Hg  Hg5  24  0.0000  0.4132  0.0947  1
  Hg  Hg6  16  0.1758  0.1758  0.1758  1
  Hg  Hg7  2  0.0000  0.0000  0.0000  1
]