data_[Hg39Pb6]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.8166]
_cell_length_b [8.8166]
_cell_length_c [20.8171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Hg13Pb2]
_chemical_formula_sum '[Hg39 Pb6]'
_cell_volume [1401.3675]
_cell_formula_units_Z [3]
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  18  0.0883  0.5442  0.5661  1.0
  Hg  Hg1  18  0.0910  0.5455  0.2915  1.0
  Hg  Hg2  3  -0.0000  -0.0000  0.5000  1.0
  Pb  Pb3  6  0.0000  0.0000  0.2382  1.0
]