data_[Cs4Sn8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1819]
_cell_length_b [13.5291]
_cell_length_c [7.7464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs(SnHg)2]
_chemical_formula_sum '[Cs4 Sn8 Hg8]'
_cell_volume [755.3108]
_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  0.0000  0.3777  0.2500  1.0
  Sn  Sn1  8  0.1426  0.1095  0.9780  1.0
  Hg  Hg2  4  0.0000  0.0912  0.2500  1.0
  Hg  Hg3  4  0.0000  0.3024  0.7500  1.0
]