data_[Li15Ge6Au15]
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 [R-3m]
_cell_length_a [4.4615]
_cell_length_b [4.4615]
_cell_length_c [35.7553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li5Ge2Au5]
_chemical_formula_sum '[Li15 Ge6 Au15]'
_cell_volume [616.3498]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1957  1.0
  Li  Li1  6  0.0000  0.0000  0.2769  1.0
  Li  Li2  3  -0.0000  -0.0000  0.0000  1.0
  Ge  Ge3  6  0.0000  0.0000  0.4278  1.0
  Au  Au4  6  0.0000  0.0000  0.0971  1.0
  Au  Au5  6  0.0000  0.0000  0.3536  1.0
  Au  Au6  3  0.0000  0.0000  0.5000  1.0
]