data_[Ge12Pb8Au36]
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/c]
_cell_length_a [14.2872]
_cell_length_b [8.0567]
_cell_length_c [11.2215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ge3Pb2Au9]
_chemical_formula_sum '[Ge12 Pb8 Au36]'
_cell_volume [1141.3109]
_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  8  0.0825  0.2739  0.9915  1
  Ge  Ge1  4  0.2500  0.2500  0.5000  1
  Pb  Pb2  8  0.1703  0.4091  0.7413  1
  Au  Au3  8  0.0582  0.4158  0.4018  1
  Au  Au4  8  0.1031  0.0930  0.5519  1
  Au  Au5  8  0.1077  0.1743  0.2317  1
  Au  Au6  8  0.2249  0.0857  0.9310  1
  Au  Au7  4  0.0000  0.1301  0.7500  1
]