data_[Li24Tl3Hg18]
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 [R-3]
_cell_length_a [7.5085]
_cell_length_b [7.5085]
_cell_length_c [18.7856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8TlHg6]
_chemical_formula_sum '[Li24 Tl3 Hg18]'
_cell_volume [917.2086]
_cell_formula_units_Z [3]
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  18  0.0459  0.2682  0.1220  1.0
  Li  Li1  6  0.0000  0.0000  0.3987  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0281  0.2561  0.2681  1.0
]