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 [Pmmn]
_cell_length_a [3.3748]
_cell_length_b [17.1637]
_cell_length_c [5.9553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [HgPb]
_chemical_formula_sum '[Hg6 Pb6]'
_cell_volume [344.9544]
_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  0.0000  0.3328  0.3838  1
  Hg  Hg1  2  0.0000  0.0000  0.8353  1
  Pb  Pb2  4  0.0000  0.1650  0.1144  1
  Pb  Pb3  2  0.0000  0.5000  0.6505  1
]