data_[Hg6Pb18Au12]
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 [R-3c]
_cell_length_a [8.2805]
_cell_length_b [8.2805]
_cell_length_c [17.0433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [HgPb3Au2]
_chemical_formula_sum '[Hg6 Pb18 Au12]'
_cell_volume [1012.0411]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  18  0.0000  0.3200  0.2500  1.0
  Au  Au2  12  0.0000  0.0000  0.3343  1.0
]