data_AlCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   147.23
_cell_angle_beta   61.48
_cell_angle_gamma   129.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ni
_chemical_formula_sum   'Al1 Cu2 Ni1'
_cell_volume   48.2
_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
  Al  Al0  1  0.0  0.0  0.46  1.0
  Cu  Cu1  1  0.38  0.11  0.06  1.0
  Cu  Cu2  1  0.38  0.89  0.06  1.0
  Ni  Ni3  1  0.0  0.2  0.47  1.0

data_AlCu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.16
_cell_length_c   4.88
_cell_angle_alpha   115.23
_cell_angle_beta   106.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ni
_chemical_formula_sum   'Al1 Cu2 Ni1'
_cell_volume   48.2
_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
  Al  Al0  1  0.0  0.54  0.54  1.0
  Cu  Cu1  1  0.51  0.83  0.45  1.0
  Cu  Cu2  1  0.73  0.05  0.67  1.0
  Ni  Ni3  1  0.2  0.72  0.72  1.0

Al Cu Cu Ni
NiCu2Al crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NiCu2Al cluster. Ni(1) is bonded in a single-bond geometry to one Al(1) atom. The Ni(1)-Al(1) bond length is 0.92 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cu(2) atom. The Cu(1)-Cu(2) bond length is 1.10 Å. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one Cu(1) and one Al(1) atom. The Cu(2)-Al(1) bond length is 1.89 Å. Al(1) is bonded in a single-bond geometry to one Ni(1) and one Cu(2) atom.