data_[Li1Hg2Au1]
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 [Pm]
_cell_length_a [3.2169]
_cell_length_b [3.2854]
_cell_length_c [7.7521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiHg2Au]
_chemical_formula_sum '[Li1 Hg2 Au1]'
_cell_volume [81.9228]
_cell_formula_units_Z [1]
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  1  0.9977  0.0000  0.5280  1.0
  Hg  Hg1  1  0.0144  0.0000  0.9757  1.0
  Hg  Hg2  1  0.4819  0.5000  0.2891  1.0
  Au  Au3  1  0.5061  0.5000  0.7072  1.0
]