data_[Cd8Hg4]
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 [13.0315]
_cell_length_b [3.1433]
_cell_length_c [7.2412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd2Hg]
_chemical_formula_sum '[Cd8 Hg4]'
_cell_volume [287.2652]
_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  0.0047  0.0000  0.0041  1.0
  Cd  Cd1  2  0.1052  0.5000  0.7170  1.0
  Cd  Cd2  2  0.1729  0.5000  0.3391  1.0
  Cd  Cd3  2  0.3336  0.0000  0.6719  1.0
  Hg  Hg4  2  0.2730  0.0000  0.0479  1.0
  Hg  Hg5  2  0.4438  0.5000  0.3866  1.0
]