data_SnPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   145.64
_cell_angle_beta   128.04
_cell_angle_gamma   63.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPbAu2
_chemical_formula_sum   'Sn1 Pb1 Au2'
_cell_volume   93.69
_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
  Sn  Sn3  1  0.0  0.0  0.85  1.0
  Pb  Pb2  1  0.76  0.0  0.96  1.0
  Au  Au0  1  0.76  0.0  0.07  1.0
  Au  Au1  1  0.0  0.0  0.34  1.0

data_SnPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.23
_cell_length_c   5.97
_cell_angle_alpha   115.98
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPbAu2
_chemical_formula_sum   'Sn1 Pb1 Au2'
_cell_volume   93.69
_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
  Sn  Sn0  1  0.15  0.15  0.15  1.0
  Pb  Pb1  1  0.81  0.04  0.81  1.0
  Au  Au2  1  0.66  0.66  0.66  1.0
  Au  Au3  1  0.7  0.93  0.7  1.0

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