data_[Hg2Pb2Au6]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5408]
_cell_length_b [6.8071]
_cell_length_c [6.2129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HgPbAu3]
_chemical_formula_sum '[Hg2 Pb2 Au6]'
_cell_volume [226.5496]
_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  0.4245  0.7500  0.0696  1
  Pb  Pb1  2  0.1579  0.2500  0.2418  1
  Au  Au2  4  0.3111  0.5412  0.6224  1
  Au  Au3  2  0.0028  0.2500  0.7509  1
]