data_Hg2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PbAu
_chemical_formula_sum   'Hg2 Pb1 Au1'
_cell_volume   101.64
_cell_formula_units_Z   1
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  Hg1  1  0.72  0.72  0.34  1.0
  Hg  Hg2  1  0.0  0.0  0.01  1.0
  Pb  Pb3  1  0.72  0.72  0.57  1.0
  Au  Au0  1  0.0  0.0  0.43  1.0

data_Hg2PbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2PbAu
_chemical_formula_sum   'Hg4 Pb2 Au2'
_cell_volume   203.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.01  1.0
  Hg  Hg1  2  0.22  0.5  0.34  1.0
  Pb  Pb2  2  0.22  0.5  0.57  1.0
  Au  Au3  2  0.0  0.0  0.43  1.0

Hg Hg Pb Au
Hg Hg Pb Au 0 3 + + o 0 1 + + o 0 1 + o o 0 1 o + o 0 2 o o o 1 2 - - - 1 1 + o o 1 1 o + o 1 3 o o o 2 3 + + o 