data_[Cd10Hg12]
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 [C2/m]
_cell_length_a [7.0129]
_cell_length_b [12.3071]
_cell_length_c [6.9036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd5Hg6]
_chemical_formula_sum '[Cd10 Hg12]'
_cell_volume [567.8372]
_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  4  0.0000  0.2322  0.5000  1.0
  Cd  Cd1  4  0.0000  0.3600  0.0000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  8  0.1769  0.1378  0.1943  1.0
  Hg  Hg4  4  0.1763  0.0000  0.7158  1.0
]