data_[Li36Hg3Au18]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8286]
_cell_length_b [9.8286]
_cell_length_c [11.7904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12HgAu6]
_chemical_formula_sum '[Li36 Hg3 Au18]'
_cell_volume [986.3837]
_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  0.0259  0.8287  0.8152  1.0
  Li  Li1  18  0.0602  0.2200  0.4147  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0005  0.5754  0.7014  1.0
]