data_[Ga8Pb4Au12]
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 [Cmcm]
_cell_length_a [10.7978]
_cell_length_b [8.3731]
_cell_length_c [5.6523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ga2PbAu3]
_chemical_formula_sum '[Ga8 Pb4 Au12]'
_cell_volume [511.0294]
_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  8  0.2127  0.0000  0.0000  1.0
  Pb  Pb1  4  0.0000  0.3541  0.2500  1.0
  Au  Au2  8  0.1710  0.2898  0.7500  1.0
  Au  Au3  4  0.0000  0.0336  0.7500  1.0
]