data_CuPdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   145.68
_cell_angle_beta   134.37
_cell_angle_gamma   58.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPdAu
_chemical_formula_sum   'Cu1 Pd1 Au1'
_cell_volume   45.72
_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
  Cu  Cu1  1  0.0  0.0  0.68  1.0
  Pd  Pd2  1  0.0  0.0  0.77  1.0
  Au  Au0  1  0.0  0.0  0.03  1.0

data_CuPdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.76
_cell_length_c   4.85
_cell_angle_alpha   112.81
_cell_angle_beta   107.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPdAu
_chemical_formula_sum   'Cu1 Pd1 Au1'
_cell_volume   45.72
_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
  Cu  Cu0  1  0.0  0.68  0.68  1.0
  Pd  Pd1  1  0.0  0.77  0.77  1.0
  Au  Au2  1  0.0  0.03  0.03  1.0

Cu Pd Au
Cu Pd Au 0 1 o o o 1 2 o o + 