data_[Cd16Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.2825]
_cell_length_b [6.4984]
_cell_length_c [10.1933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Cd4Hg]
_chemical_formula_sum '[Cd16 Hg4]'
_cell_volume [501.8950]
_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
[
  Cd  Cd0  4  0.0330  0.1269  0.5054  1
  Cd  Cd1  4  0.0347  0.3762  0.0186  1
  Cd  Cd2  4  0.2002  0.1359  0.8519  1
  Cd  Cd3  4  0.3714  0.1268  0.1955  1
  Hg  Hg4  4  0.3664  0.3798  0.6801  1
]