data_[Cd6Hg6]
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 [13.5064]
_cell_length_b [3.1614]
_cell_length_c [7.0721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdHg]
_chemical_formula_sum '[Cd6 Hg6]'
_cell_volume [293.8616]
_cell_formula_units_Z [6]
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  0.0304  0.0000  0.0596  1.0
  Cd  Cd1  2  0.3604  0.0000  0.7344  1.0
  Cd  Cd2  2  0.3634  0.0000  0.2110  1.0
  Hg  Hg3  2  0.0187  0.0000  0.5475  1.0
  Hg  Hg4  2  0.1915  0.5000  0.8886  1.0
  Hg  Hg5  2  0.2023  0.5000  0.3923  1.0
]