data_[Hg4Pd12Pb12]
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 [8.5152]
_cell_length_b [10.4920]
_cell_length_c [7.2666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(PdPb)3]
_chemical_formula_sum '[Hg4 Pd12 Pb12]'
_cell_volume [649.1465]
_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  4  0.2369  0.5000  0.1531  1.0
  Pd  Pd1  8  0.2495  0.2432  0.2851  1.0
  Pd  Pd2  4  0.0759  0.0000  0.1841  1.0
  Pb  Pb3  4  0.0000  0.1614  0.5000  1.0
  Pb  Pb4  4  0.0000  0.2450  0.0000  1.0
  Pb  Pb5  4  0.1086  0.5000  0.6788  1.0
]