data_CoPdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   144.1
_cell_angle_beta   129.31
_cell_angle_gamma   63.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPdAu2
_chemical_formula_sum   'Co1 Pd1 Au2'
_cell_volume   63.43
_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  Co2  1  0.0  0.0  0.46  1.0
  Pd  Pd3  1  0.0  0.23  0.06  1.0
  Au  Au0  1  0.0  0.0  0.84  1.0
  Au  Au1  1  0.61  0.0  0.34  1.0

data_CoPdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.46
_cell_length_c   5.21
_cell_angle_alpha   115.35
_cell_angle_beta   107.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPdAu2
_chemical_formula_sum   'Co1 Pd1 Au2'
_cell_volume   63.43
_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  0.54  0.54  0.54  1.0
  Pd  Pd1  1  0.94  0.17  0.17  1.0
  Au  Au2  1  0.16  0.16  0.16  1.0
  Au  Au3  1  0.26  0.66  0.26  1.0

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