data_[Ga20Pb8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3973]
_cell_length_b [26.1411]
_cell_length_c [7.4168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ga5Pb2Au3]
_chemical_formula_sum '[Ga20 Pb8 Au12]'
_cell_volume [852.5704]
_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
[
  Ga  Ga0  4  0.0000  0.0539  0.1142  1
  Ga  Ga1  4  0.0000  0.1223  0.7710  1
  Ga  Ga2  4  0.0000  0.2931  0.4106  1
  Ga  Ga3  4  0.0000  0.2950  0.0064  1
  Ga  Ga4  4  0.0000  0.3955  0.8909  1
  Pb  Pb5  4  0.0000  0.1784  0.2126  1
  Pb  Pb6  4  0.0000  0.4800  0.2572  1
  Au  Au7  4  0.0000  0.0550  0.4893  1
  Au  Au8  4  0.0000  0.2240  0.7038  1
  Au  Au9  4  0.0000  0.3919  0.5088  1
]