data_CuNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.45
_cell_angle_alpha   100.38
_cell_angle_beta   100.38
_cell_angle_gamma   34.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi2Pd
_chemical_formula_sum   'Cu1 Ni2 Pd1'
_cell_volume   49.33
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.53  0.0  0.32  1.0
  Ni  Ni2  1  0.21  0.0  0.06  1.0
  Pd  Pd3  1  0.87  0.0  0.19  1.0

data_CuNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.45
_cell_length_c   4.48
_cell_angle_alpha   100.38
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi2Pd
_chemical_formula_sum   'Cu1 Ni2 Pd1'
_cell_volume   49.33
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.06  0.21  1.0
  Ni  Ni2  1  0.0  0.32  0.53  1.0
  Pd  Pd3  1  0.0  0.19  0.87  1.0

Cu Ni Ni Pd