data_[Hg6Pb6]
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 [Amm2]
_cell_length_a [4.0417]
_cell_length_b [12.3265]
_cell_length_c [7.2870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HgPb]
_chemical_formula_sum '[Hg6 Pb6]'
_cell_volume [363.0350]
_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  4  0.5000  0.1244  0.3789  1.0
  Hg  Hg1  2  0.5000  0.0000  0.7519  1.0
  Pb  Pb2  4  0.0000  0.2095  0.7032  1.0
  Pb  Pb3  2  0.0000  0.0000  0.0819  1.0
]