data_[Mg4Cd8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [11.7673]
_cell_length_b [5.5170]
_cell_length_c [8.3264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(CdHg)2]
_chemical_formula_sum '[Mg4 Cd8 Hg8]'
_cell_volume [467.8959]
_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
[
  Mg  Mg0  4  0.2390  0.5000  0.2554  1.0
  Cd  Cd1  4  0.0427  0.0000  0.3550  1.0
  Cd  Cd2  4  0.1497  0.0000  0.0416  1.0
  Hg  Hg3  4  0.0554  0.5000  0.8559  1.0
  Hg  Hg4  4  0.1619  0.5000  0.5557  1.0
]