data_[Ge4Pb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4281]
_cell_length_b [4.7343]
_cell_length_c [6.6014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GePbAu3]
_chemical_formula_sum '[Ge4 Pb4 Au12]'
_cell_volume [426.0491]
_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
[
  Ge  Ge0  4  0.0214  0.5000  0.2137  1.0
  Pb  Pb1  4  0.1505  0.0000  0.9821  1.0
  Au  Au2  4  0.0740  0.0000  0.3837  1.0
  Au  Au3  4  0.1392  0.5000  0.6684  1.0
  Au  Au4  4  0.2243  0.5000  0.3297  1.0
]