data_[Li12Ge2Au6]
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 [P2_1/m]
_cell_length_a [7.2847]
_cell_length_b [4.6276]
_cell_length_c [9.9295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li6GeAu3]
_chemical_formula_sum '[Li12 Ge2 Au6]'
_cell_volume [313.3209]
_cell_formula_units_Z [2]
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  2  0.0884  0.7500  0.2189  1
  Li  Li1  2  0.1059  0.2500  0.5788  1
  Li  Li2  2  0.2915  0.7500  0.0301  1
  Li  Li3  2  0.2998  0.2500  0.8774  1
  Li  Li4  2  0.3082  0.2500  0.3675  1
  Li  Li5  2  0.3113  0.7500  0.5385  1
  Ge  Ge6  2  0.0861  0.7500  0.7217  1
  Au  Au7  2  0.1064  0.2500  0.0846  1
  Au  Au8  2  0.4781  0.7500  0.8318  1
  Au  Au9  2  0.4948  0.7500  0.3387  1
]