data_[Mg4Cd2Hg16]
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 [15.8280]
_cell_length_b [6.1045]
_cell_length_c [5.8075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2CdHg8]
_chemical_formula_sum '[Mg4 Cd2 Hg16]'
_cell_volume [561.0060]
_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  0.2419  0.5000  0.6153  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.0929  0.2481  0.4166  1.0
  Hg  Hg3  4  0.0955  0.5000  0.9311  1.0
  Hg  Hg4  4  0.1979  0.0000  0.8867  1.0
]