data_AlCrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   152.67
_cell_angle_beta   152.67
_cell_angle_gamma   39.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrNi
_chemical_formula_sum   'Al1 Cr1 Ni1'
_cell_volume   36.3
_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  0.44  1.0
  Cr  Cr1  1  0.0  0.0  0.07  1.0
  Ni  Ni2  1  0.0  0.0  0.48  1.0

data_AlCrNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   109.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCrNi
_chemical_formula_sum   'Al2 Cr2 Ni2'
_cell_volume   72.59
_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  0.44  0.0  0.44  1.0
  Cr  Cr1  2  0.07  0.0  0.07  1.0
  Ni  Ni2  2  0.48  0.0  0.48  1.0

Al Cr Ni
NiCrAl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NiCrAl clusters. Cr(1) is bonded in a distorted single-bond geometry to one Al(1) atom. The Cr(1)-Al(1) bond length is 2.02 Å. Ni(1) is bonded in a single-bond geometry to one Al(1) atom. The Ni(1)-Al(1) bond length is 0.21 Å. Al(1) is bonded in a single-bond geometry to one Cr(1) and one Ni(1) atom.