data_[Li8Hg20Au4]
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 [Cmcm]
_cell_length_a [3.7986]
_cell_length_b [9.9647]
_cell_length_c [18.3532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2Hg5Au]
_chemical_formula_sum '[Li8 Hg20 Au4]'
_cell_volume [694.7004]
_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  8  0.0000  0.2237  0.6609  1
  Hg  Hg1  8  0.0000  0.0646  0.1026  1
  Hg  Hg2  8  0.0000  0.3523  0.0421  1
  Hg  Hg3  4  0.0000  0.4481  0.2500  1
  Au  Au4  4  0.0000  0.1669  0.2500  1
]