data_[Mg4Cd4Hg6]
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 [13.6557]
_cell_length_b [3.3812]
_cell_length_c [7.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Cd2Hg3]
_chemical_formula_sum '[Mg4 Cd4 Hg6]'
_cell_volume [324.1558]
_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
[
  Mg  Mg0  4  0.0782  0.5000  0.7423  1.0
  Cd  Cd1  4  0.1274  0.0000  0.4306  1.0
  Hg  Hg2  4  0.2236  0.5000  0.1661  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
]