data_NiPdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.83
_cell_angle_alpha   102.23
_cell_angle_beta   102.23
_cell_angle_gamma   34.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPdAu2
_chemical_formula_sum   'Ni1 Pd1 Au2'
_cell_volume   62.83
_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
  Ni  Ni2  1  0.08  0.0  0.34  1.0
  Pd  Pd3  1  0.77  0.0  0.22  1.0
  Au  Au0  1  0.01  0.0  0.04  1.0
  Au  Au1  1  0.45  0.0  0.47  1.0

data_NiPdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.83
_cell_length_c   4.86
_cell_angle_alpha   102.23
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPdAu2
_chemical_formula_sum   'Ni1 Pd1 Au2'
_cell_volume   62.83
_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
  Ni  Ni0  1  0.0  0.34  0.08  1.0
  Pd  Pd1  1  0.0  0.22  0.77  1.0
  Au  Au2  1  0.0  0.04  0.01  1.0
  Au  Au3  1  0.0  0.47  0.45  1.0

Ni Pd Au Au