data_[Li2Ge4Au12]
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/c]
_cell_length_a [6.9343]
_cell_length_b [5.7172]
_cell_length_c [11.1009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li(GeAu3)2]
_chemical_formula_sum '[Li2 Ge4 Au12]'
_cell_volume [348.0851]
_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  0.5000  0.0000  0.5000  1.0
  Ge  Ge1  4  0.1987  0.1305  0.7788  1.0
  Au  Au2  4  0.0971  0.1523  0.4419  1.0
  Au  Au3  4  0.1793  0.6466  0.4655  1.0
  Au  Au4  4  0.4880  0.1326  0.2378  1.0
]