data_ZnPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.13
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPbAu2
_chemical_formula_sum   'Zn1 Pb1 Au2'
_cell_volume   85.75
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.87  0.0  0.97  1.0
  Au  Au0  1  0.51  0.06  0.28  1.0
  Au  Au1  1  0.24  0.06  0.66  1.0

data_ZnPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.13
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPbAu2
_chemical_formula_sum   'Zn1 Pb1 Au2'
_cell_volume   85.75
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.87  0.0  0.97  1.0
  Au  Au2  1  0.24  0.06  0.66  1.0
  Au  Au3  1  0.51  0.06  0.28  1.0

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