data_[Cd10Hg2]
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]
_cell_length_a [9.1832]
_cell_length_b [5.3011]
_cell_length_c [6.7382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cd5Hg]
_chemical_formula_sum '[Cd10 Hg2]'
_cell_volume [283.9910]
_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  0.1657  0.8339  0.4995  1.0
  Cd  Cd1  4  0.1660  1.0000  0.9985  1.0
  Cd  Cd2  2  0.0000  0.3329  0.5000  1.0
  Hg  Hg3  2  0.0000  0.4991  0.0000  1.0
]