data_[Hg4Pb8]
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 [Cm]
_cell_length_a [12.8179]
_cell_length_b [3.5487]
_cell_length_c [8.1173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgPb2]
_chemical_formula_sum '[Hg4 Pb8]'
_cell_volume [358.5749]
_cell_formula_units_Z [4]
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  2  0.0006  0.0000  0.9963  1.0
  Hg  Hg1  2  0.1676  0.5000  0.3324  1.0
  Pb  Pb2  2  0.0535  0.0000  0.6138  1.0
  Pb  Pb3  2  0.2202  0.5000  0.9591  1.0
  Pb  Pb4  2  0.3261  0.0000  0.6623  1.0
  Pb  Pb5  2  0.3987  0.0000  0.2694  1.0
]