data_[Li20Hg4Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.6431]
_cell_length_b [10.6431]
_cell_length_c [10.6431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Li5HgCl8]
_chemical_formula_sum '[Li20 Hg4 Cl32]'
_cell_volume [1205.6188]
_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  16  0.1347  0.1347  0.6347  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.2500  0.2500  0.2500  1.0
  Cl  Cl3  16  0.1131  0.1131  0.3869  1.0
  Cl  Cl4  16  0.1307  0.1307  0.8693  1.0
]