data_[Hg8Pb20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.5574]
_cell_length_b [8.1168]
_cell_length_c [8.1487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Hg2Pb5Au2]
_chemical_formula_sum '[Hg8 Pb20 Au8]'
_cell_volume [1028.9915]
_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
[
  Hg  Hg0  8  0.2114  0.0000  0.0000  1.0
  Pb  Pb1  16  0.1242  0.1680  0.3320  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.0000  0.1293  0.6292  1.0
]