data_[Li20Tl8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.3298]
_cell_length_b [7.7145]
_cell_length_c [6.7988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li5(TlHg)2]
_chemical_formula_sum '[Li20 Tl8 Hg8]'
_cell_volume [751.5791]
_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  0.1329  0.1780  0.3311  1
  Li  Li1  4  0.0000  0.0000  0.0000  1
  Tl  Tl2  8  0.2124  0.0000  0.0000  1
  Hg  Hg3  8  0.0000  0.1490  0.6343  1
]