data_Ni2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.52
_cell_angle_alpha   105.48
_cell_angle_beta   105.48
_cell_angle_gamma   33.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PdAu
_chemical_formula_sum   'Ni2 Pd1 Au1'
_cell_volume   55.46
_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  Ni1  1  0.04  0.0  0.01  1.0
  Ni  Ni2  1  0.49  0.0  0.22  1.0
  Pd  Pd3  1  0.03  0.0  0.31  1.0
  Au  Au0  1  0.52  0.0  0.97  1.0

data_Ni2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.52
_cell_length_c   4.8
_cell_angle_alpha   105.48
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PdAu
_chemical_formula_sum   'Ni2 Pd1 Au1'
_cell_volume   55.46
_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  0.01  0.04  1.0
  Ni  Ni1  1  0.0  0.22  0.49  1.0
  Pd  Pd2  1  0.0  0.31  0.03  1.0
  Au  Au3  1  0.0  0.97  0.52  1.0

Ni Ni Pd Au