data_SnPd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   131.1
_cell_angle_beta   128.5
_cell_angle_gamma   73.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd2Au
_chemical_formula_sum   'Sn1 Pd2 Au1'
_cell_volume   69.62
_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
  Pd  Pd1  1  0.05  0.0  0.92  1.0
  Pd  Pd2  1  0.0  0.15  0.04  1.0
  Au  Au0  1  0.0  0.0  0.96  1.0

data_SnPd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.3
_cell_length_c   4.95
_cell_angle_alpha   115.75
_cell_angle_beta   114.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd2Au
_chemical_formula_sum   'Sn1 Pd2 Au1'
_cell_volume   69.62
_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
  Pd  Pd1  1  0.13  0.08  0.13  1.0
  Pd  Pd2  1  0.96  0.11  0.11  1.0
  Au  Au3  1  0.04  0.04  0.04  1.0

Sn Pd Pd Au