data_SnPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   142.54
_cell_angle_beta   130.13
_cell_angle_gamma   64.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPb2Au
_chemical_formula_sum   'Sn1 Pb2 Au1'
_cell_volume   108.42
_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  0.0  1.0
  Pb  Pb1  1  0.98  0.0  0.93  1.0
  Pb  Pb2  1  0.0  0.61  0.31  1.0
  Au  Au0  1  0.0  0.0  0.24  1.0

data_SnPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.21
_cell_length_c   6.18
_cell_angle_alpha   114.94
_cell_angle_beta   108.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPb2Au
_chemical_formula_sum   'Sn1 Pb2 Au1'
_cell_volume   108.42
_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  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.05  0.07  0.05  1.0
  Pb  Pb2  1  0.69  0.3  0.3  1.0
  Au  Au3  1  0.76  0.76  0.76  1.0

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