data_[Hg24Pb16]
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 [Fdd2]
_cell_length_a [11.1322]
_cell_length_b [16.1649]
_cell_length_c [6.2338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Hg3Pb2]
_chemical_formula_sum '[Hg24 Pb16]'
_cell_volume [1121.7722]
_cell_formula_units_Z [8]
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  16  0.0466  0.3979  0.0995  1.0
  Hg  Hg1  8  0.0000  0.0000  0.0356  1.0
  Pb  Pb2  16  0.0364  0.3068  0.6327  1.0
]