data_[Mg10Cd2Hg16]
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 [I-4]
_cell_length_a [8.6059]
_cell_length_b [8.6059]
_cell_length_c [8.9456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Mg5CdHg8]
_chemical_formula_sum '[Mg10 Cd2 Hg16]'
_cell_volume [662.5224]
_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  8  0.1258  0.7734  0.8976  1.0
  Mg  Mg1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.2500  1.0
  Hg  Hg3  8  0.0698  0.6692  0.5699  1.0
  Hg  Hg4  8  0.0921  0.8298  0.2215  1.0
]