data_[Cs4Hg4]
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 [P-1]
_cell_length_a [7.4607]
_cell_length_b [7.7377]
_cell_length_c [7.8735]
_cell_angle_alpha [107.0464]
_cell_angle_beta [104.4418]
_cell_angle_gamma [92.9847]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHg]
_chemical_formula_sum '[Cs4 Hg4]'
_cell_volume [416.9636]
_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  2  0.1861  0.2900  0.6367  1.0
  Cs  Cs1  2  0.2606  0.8432  0.0537  1.0
  Hg  Hg2  2  0.3130  0.3968  0.2162  1.0
  Hg  Hg3  2  0.3687  0.7512  0.5544  1.0
]