data_[Cd12Hg10]
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 [7.6897]
_cell_length_b [12.8393]
_cell_length_c [6.0041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd6Hg5]
_chemical_formula_sum '[Cd12 Hg10]'
_cell_volume [559.5855]
_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  8  0.1895  0.1326  0.1895  1.0
  Cd  Cd1  4  0.1569  0.0000  0.7449  1.0
  Hg  Hg2  4  0.0000  0.2237  0.5000  1.0
  Hg  Hg3  4  0.0000  0.3542  0.0000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
]