data_Zn2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.61
_cell_angle_alpha   105.15
_cell_angle_beta   105.15
_cell_angle_gamma   48.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PbAu
_chemical_formula_sum   'Zn2 Pb1 Au1'
_cell_volume   85.99
_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  Zn2  1  0.88  0.0  0.88  1.0
  Zn  Zn3  1  0.95  0.0  0.49  1.0
  Pb  Pb1  1  0.41  0.0  0.69  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Zn2PbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.62
_cell_length_c   5.61
_cell_angle_alpha   105.15
_cell_angle_beta   90.0
_cell_angle_gamma   114.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PbAu
_chemical_formula_sum   'Zn2 Pb1 Au1'
_cell_volume   85.99
_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  0.05  0.51  1.0
  Zn  Zn1  1  0.0  0.12  0.12  1.0
  Pb  Pb2  1  0.0  0.59  0.31  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

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