data_Ag(PdAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   7.31
_cell_angle_alpha   150.42
_cell_angle_beta   150.42
_cell_angle_gamma   42.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag(PdAu)2
_chemical_formula_sum   'Ag1 Pd2 Au2'
_cell_volume   94.79
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.86  0.41  1.0
  Pd  Pd4  1  0.86  0.0  0.41  1.0
  Au  Au1  1  0.0  0.0  0.16  1.0
  Au  Au2  1  0.0  0.0  0.47  1.0

data_Ag(PdAu)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag(PdAu)2
_chemical_formula_sum   'Ag2 Pd4 Au4'
_cell_volume   189.58
_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
  Ag  Ag0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  4  0.43  0.43  0.46  1.0
  Au  Au2  2  0.0  0.0  0.53  1.0
  Au  Au3  2  0.0  0.0  0.84  1.0

Ag Pd Pd Au Au
Ag Pd Pd Au Au 0 3 o o o 1 4 o + o 1 2 - + o 2 4 + o o 