data_AlCu2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ni3
_chemical_formula_sum   'Al1 Cu2 Ni3'
_cell_volume   76.09
_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  0.0  1.0
  Cu  Cu1  1  0.32  0.34  0.0  1.0
  Cu  Cu2  1  0.0  0.68  0.0  1.0
  Ni  Ni3  1  0.84  0.01  0.04  1.0
  Ni  Ni4  1  0.16  0.01  0.04  1.0
  Ni  Ni5  1  0.32  0.0  0.04  1.0

data_AlCu2Ni3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   8.04
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCu2Ni3
_chemical_formula_sum   'Al2 Cu4 Ni6'
_cell_volume   152.19
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.15  0.17  0.0  1.0
  Ni  Ni2  2  0.16  0.0  0.04  1.0
  Ni  Ni3  2  0.32  0.0  0.04  1.0
  Ni  Ni4  2  0.34  0.5  0.04  1.0

Al Cu Cu Ni Ni Ni
Ni3Cu2Al is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ni3Cu2Al cluster. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Al(1) atom. The Ni(1)-Al(1) bond length is 0.78 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Ni(3), one Cu(1), one Cu(2), and one Al(1) atom. The Ni(2)-Ni(3) bond length is 0.77 Å. The Ni(2)-Cu(1) bond length is 1.34 Å. The Ni(2)-Cu(2) bond length is 1.34 Å. The Ni(2)-Al(1) bond length is 0.74 Å. In the third Ni site, Ni(3) is bonded in a single-bond geometry to one Ni(2) and one Cu(2) atom. The Ni(3)-Cu(2) bond length is 1.50 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one Ni(2) and one Al(1) atom. The Cu(1)-Al(1) bond length is 1.53 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one Al(1) atom. The Cu(2)-Al(1) bond length is 1.49 Å. Al(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1), one Ni(2), one Cu(1), and one Cu(2) atom.