data_[Hg4Pd2Pb16]
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 [19.0688]
_cell_length_b [5.1840]
_cell_length_c [6.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2PdPb8]
_chemical_formula_sum '[Hg4 Pd2 Pb16]'
_cell_volume [650.1470]
_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  4  0.1768  0.0000  0.7443  1.0
  Pd  Pd1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  4  0.0089  0.0000  0.7691  1.0
  Pb  Pb3  4  0.1021  0.5000  0.4343  1.0
  Pb  Pb4  4  0.1463  0.5000  0.9737  1.0
  Pb  Pb5  4  0.2107  0.0000  0.3147  1.0
]