data_[Hg4Pb16Au4]
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 [C2/c]
_cell_length_a [9.2067]
_cell_length_b [13.8140]
_cell_length_c [6.0527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgPb4Au]
_chemical_formula_sum '[Hg4 Pb16 Au4]'
_cell_volume [712.9781]
_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  4  0.0000  0.3774  0.7500  1.0
  Pb  Pb1  8  0.1253  0.1768  0.0916  1.0
  Pb  Pb2  8  0.2109  0.4246  0.3444  1.0
  Au  Au3  4  0.0000  0.0134  0.7500  1.0
]