data_[Li8Al12Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.8516]
_cell_length_b [15.3254]
_cell_length_c [7.2568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li2Al3Au4]
_chemical_formula_sum '[Li8 Al12 Au16]'
_cell_volume [650.7773]
_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  0.0923  0.6024  1.0
  Al  Al1  8  0.2500  0.2391  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.0000  0.1734  0.9695  1.0
  Au  Au4  8  0.2500  0.0656  0.2500  1.0
]