data_[Cd4Hg8]
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 [Cm]
_cell_length_a [12.9258]
_cell_length_b [3.3367]
_cell_length_c [7.3151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdHg2]
_chemical_formula_sum '[Cd4 Hg8]'
_cell_volume [307.2998]
_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  2  0.1740  0.5000  0.3394  1.0
  Cd  Cd1  2  0.4961  0.5000  0.0061  1.0
  Hg  Hg2  2  0.0634  0.0000  0.5994  1.0
  Hg  Hg3  2  0.2065  0.5000  0.9411  1.0
  Hg  Hg4  2  0.3430  0.0000  0.6784  1.0
  Hg  Hg5  2  0.3836  0.0000  0.2690  1.0
]