data_[Hg2Pd4Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9975]
_cell_length_b [12.7353]
_cell_length_c [5.5986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(PdPb4)2]
_chemical_formula_sum '[Hg2 Pd4 Pb16]'
_cell_volume [622.9609]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0000  0.3173  0.0000  1.0
  Pb  Pb2  8  0.2045  0.1293  0.1046  1.0
  Pb  Pb3  4  0.0000  0.2451  0.5000  1.0
  Pb  Pb4  4  0.1223  0.5000  0.3097  1.0
]