data_[Cd2Sn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2734]
_cell_length_b [5.2734]
_cell_length_c [22.1083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cd(SnHg2)2]
_chemical_formula_sum '[Cd2 Sn4 Hg8]'
_cell_volume [614.7922]
_cell_formula_units_Z [2]
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
[
  Cd  Cd0  2  0.0000  0.0000  0.0000  1
  Sn  Sn1  4  0.0000  0.0000  0.2577  1
  Hg  Hg2  4  0.0000  0.0000  0.1312  1
  Hg  Hg3  4  0.0000  0.5000  0.0000  1
]