data_Sn2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   152.96
_cell_angle_beta   142.87
_cell_angle_gamma   46.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PdAu
_chemical_formula_sum   'Sn2 Pd1 Au1'
_cell_volume   86.59
_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  Sn2  1  0.0  0.17  0.72  1.0
  Sn  Sn3  1  0.0  0.0  0.73  1.0
  Pd  Pd1  1  0.0  0.0  0.62  1.0
  Au  Au0  1  0.0  0.17  0.71  1.0

data_Sn2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.34
_cell_length_c   6.82
_cell_angle_alpha   108.56
_cell_angle_beta   103.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PdAu
_chemical_formula_sum   'Sn2 Pd1 Au1'
_cell_volume   86.59
_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  0.73  0.73  1.0
  Sn  Sn1  1  0.83  0.55  0.55  1.0
  Pd  Pd2  1  0.0  0.62  0.62  1.0
  Au  Au3  1  0.83  0.54  0.54  1.0

Sn Sn Pd Au
Sn Sn Pd Au 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 