data_Al2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   7.14
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuNi
_chemical_formula_sum   'Al8 Cu4 Ni4'
_cell_volume   224.09
_cell_formula_units_Z   4
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
  Al  Al0  1  0.42  0.42  0.3  1.0
  Al  Al1  1  0.43  0.72  0.91  1.0
  Al  Al2  1  0.15  0.99  0.48  1.0
  Al  Al3  1  0.14  0.15  0.87  1.0
  Al  Al4  1  0.15  0.72  0.48  1.0
  Al  Al5  1  0.14  0.42  0.87  1.0
  Al  Al6  1  0.42  0.15  0.3  1.0
  Al  Al7  1  0.43  0.99  0.91  1.0
  Cu  Cu8  1  0.53  0.79  0.88  1.0
  Cu  Cu9  1  0.32  0.36  0.27  1.0
  Cu  Cu10  1  0.04  0.36  0.9  1.0
  Cu  Cu11  1  0.25  0.79  0.51  1.0
  Ni  Ni12  1  0.16  0.79  0.85  1.0
  Ni  Ni13  1  0.69  0.36  0.46  1.0
  Ni  Ni14  1  0.41  0.36  0.93  1.0
  Ni  Ni15  1  0.87  0.79  0.32  1.0

data_Al2CuNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.78
_cell_length_b   6.56
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2CuNi
_chemical_formula_sum   'Al8 Cu4 Ni4'
_cell_volume   224.09
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Al  Al0  2  0.09  0.86  0.92  1.0
  Al  Al1  2  0.09  0.86  0.65  1.0
  Al  Al2  2  0.48  0.85  0.08  1.0
  Al  Al3  2  0.48  0.85  0.35  1.0
  Cu  Cu4  2  0.12  0.96  0.71  1.0
  Cu  Cu5  2  0.49  0.25  0.71  1.0
  Ni  Ni6  2  0.07  0.41  0.29  1.0
  Ni  Ni7  2  0.46  0.87  0.71  1.0

Al Al Al Al Al Al Al Al Cu Cu Cu Cu Ni Ni Ni Ni
Al2Cu(Ni) is beta Np structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four Al2Cu(Ni) clusters. Ni(2) is bonded in a 1-coordinate geometry to one Al(1) atom. The Ni(2)-Al(1) bond length is 2.00 Å. Cu(2) is bonded in a distorted single-bond geometry to one Al(1) and one Al(3) atom. The Cu(2)-Al(1) bond length is 0.79 Å. The Cu(2)-Al(3) bond length is 1.60 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Ni(2) and one Cu(2) atom. In the second Al site, Al(3) is bonded in a distorted single-bond geometry to one Cu(2) atom.