data_Hg2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   3.85
_cell_angle_alpha   106.97
_cell_angle_beta   106.97
_cell_angle_gamma   123.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PbAu
_chemical_formula_sum   'Hg2 Pb1 Au1'
_cell_volume   102.9
_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  0.32  0.81  0.52  1.0
  Hg  Hg2  1  0.32  0.19  0.52  1.0
  Pb  Pb3  1  0.02  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Hg2PbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.76
_cell_length_c   6.37
_cell_angle_alpha   111.42
_cell_angle_beta   106.97
_cell_angle_gamma   91.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PbAu
_chemical_formula_sum   'Hg2 Pb1 Au1'
_cell_volume   102.9
_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  Hg0  1  0.32  0.81  0.13  1.0
  Hg  Hg1  1  0.71  0.19  0.52  1.0
  Pb  Pb2  1  0.0  0.0  0.02  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

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