data_Co2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.46
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdAu
_chemical_formula_sum   'Co2 Pd1 Au1'
_cell_volume   56.49
_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
  Co  Co1  1  0.0  0.0  0.22  1.0
  Co  Co2  1  0.38  0.73  0.32  1.0
  Pd  Pd3  1  0.0  0.0  0.79  1.0
  Au  Au0  1  0.38  0.73  0.57  1.0

data_Co2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.46
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdAu
_chemical_formula_sum   'Co2 Pd1 Au1'
_cell_volume   56.49
_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
  Co  Co0  1  0.0  0.0  0.22  1.0
  Co  Co1  1  0.38  0.73  0.32  1.0
  Pd  Pd2  1  0.0  0.0  0.79  1.0
  Au  Au3  1  0.38  0.73  0.57  1.0

Co Co Pd Au
Co Co Pd Au 0 1 o - o 1 3 o o o 2 3 o - o 