data_[Ge4Pb4Au8]
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 [13.5093]
_cell_length_b [4.3559]
_cell_length_c [6.5964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GePbAu2]
_chemical_formula_sum '[Ge4 Pb4 Au8]'
_cell_volume [379.7508]
_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  0.1271  0.0000  0.1022  1.0
  Pb  Pb1  4  0.1367  0.5000  0.5311  1.0
  Au  Au2  4  0.0233  0.0000  0.7225  1.0
  Au  Au3  4  0.2439  0.5000  0.1645  1.0
]