data_[Li20Hg8Au8]
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 [Cmce]
_cell_length_a [14.0270]
_cell_length_b [6.9151]
_cell_length_c [7.0192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li5(HgAu)2]
_chemical_formula_sum '[Li20 Hg8 Au8]'
_cell_volume [680.8482]
_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  0.1255  0.1649  0.3362  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.2112  0.0000  0.0000  1.0
  Au  Au3  8  0.0000  0.1410  0.6414  1.0
]