data_[Hg4Pb2Au2]
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 [Cm]
_cell_length_a [7.3287]
_cell_length_b [4.0665]
_cell_length_c [7.8006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hg2PbAu]
_chemical_formula_sum '[Hg4 Pb2 Au2]'
_cell_volume [222.4429]
_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  0.0076  0.0000  0.0225  1.0
  Hg  Hg1  2  0.2552  0.0000  0.7679  1.0
  Pb  Pb2  2  0.4883  0.0000  0.4668  1.0
  Au  Au3  2  0.2488  0.5000  0.2428  1.0
]