data_[Li8Ge4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4225]
_cell_length_b [13.5188]
_cell_length_c [5.4608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li2GeAu2]
_chemical_formula_sum '[Li8 Ge4 Au8]'
_cell_volume [326.4811]
_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  4  0.0000  0.0210  0.6965  1.0
  Li  Li1  4  0.0000  0.2182  0.6423  1.0
  Ge  Ge2  4  0.0000  0.4092  0.4399  1.0
  Au  Au3  4  0.0000  0.1665  0.1231  1.0
  Au  Au4  4  0.0000  0.3855  0.9639  1.0
]