data_Ni2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   129.28
_cell_angle_beta   129.28
_cell_angle_gamma   74.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PdAu
_chemical_formula_sum   'Ni2 Pd1 Au1'
_cell_volume   55.59
_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  0.0  0.96  0.82  1.0
  Ni  Ni2  1  0.96  0.0  0.82  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.63  1.0

data_Ni2PdAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   127.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2PdAu
_chemical_formula_sum   'Ni4 Pd2 Au2'
_cell_volume   111.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.02  0.02  0.86  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.63  1.0

Ni Ni Pd Au