data_[Li28Cd24Hg64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [13.7016]
_cell_length_b [13.7016]
_cell_length_c [13.7016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Li7(Cd3Hg8)2]
_chemical_formula_sum '[Li28 Cd24 Hg64]'
_cell_volume [2572.2304]
_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
[
  Li  Li0  24  0.0000  0.2500  0.2500  1
  Li  Li1  4  0.0000  0.0000  0.0000  1
  Cd  Cd2  24  0.0000  0.0000  0.2515  1
  Hg  Hg3  32  0.1339  0.1339  0.1339  1
  Hg  Hg4  32  0.1340  0.1340  0.3660  1
]