data_[Mg4Cd20Hg8]
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 [Cmcm]
_cell_length_a [3.1564]
_cell_length_b [22.3347]
_cell_length_c [11.3151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MgCd5Hg2]
_chemical_formula_sum '[Mg4 Cd20 Hg8]'
_cell_volume [797.6922]
_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  0.0000  0.2127  0.2500  1.0
  Cd  Cd1  8  0.0000  0.0900  0.1229  1.0
  Cd  Cd2  8  0.0000  0.3098  0.0074  1.0
  Cd  Cd3  4  0.0000  0.1685  0.7500  1.0
  Hg  Hg4  8  0.0000  0.0451  0.6189  1.0
]