data_[Mg4Cd16Hg4]
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/c]
_cell_length_a [9.4555]
_cell_length_b [5.5375]
_cell_length_c [10.9516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgCd4Hg]
_chemical_formula_sum '[Mg4 Cd16 Hg4]'
_cell_volume [546.3208]
_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  0.2500  0.2500  0.0000  1.0
  Cd  Cd1  8  0.0829  0.2514  0.4944  1.0
  Cd  Cd2  8  0.1700  0.4014  0.2498  1.0
  Hg  Hg3  4  0.0000  0.1133  0.7500  1.0
]