data_SiPdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.4
_cell_length_c   3.09
_cell_angle_alpha   75.13
_cell_angle_beta   71.89
_cell_angle_gamma   32.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdAu
_chemical_formula_sum   'Si1 Pd1 Au1'
_cell_volume   47.42
_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
  Si  Si2  1  0.07  0.3  0.2  1.0
  Pd  Pd1  1  0.07  0.3  0.89  1.0
  Au  Au0  1  0.07  0.3  0.86  1.0

data_SiPdAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   9.97
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   132.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiPdAu
_chemical_formula_sum   'Si2 Pd2 Au2'
_cell_volume   94.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.07  0.0  0.27  1.0
  Pd  Pd1  2  0.07  0.0  0.96  1.0
  Au  Au2  2  0.07  0.0  0.93  1.0

Si Pd Au
Si Pd Au 0 2 o o - 0 1 o o - 1 2 o o o 