data_AlCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.2
_cell_angle_alpha   99.96
_cell_angle_beta   99.96
_cell_angle_gamma   38.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdNi2
_chemical_formula_sum   'Al1 Cd1 Ni2'
_cell_volume   57.63
_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
  Cd  Cd1  1  0.55  0.0  0.56  1.0
  Ni  Ni2  1  0.77  0.0  0.04  1.0
  Ni  Ni3  1  0.34  0.0  0.07  1.0

data_AlCdNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.27
_cell_length_c   5.2
_cell_angle_alpha   99.96
_cell_angle_beta   90.0
_cell_angle_gamma   109.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdNi2
_chemical_formula_sum   'Al1 Cd1 Ni2'
_cell_volume   57.63
_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
  Cd  Cd1  1  0.0  0.45  0.44  1.0
  Ni  Ni2  1  0.0  0.23  0.96  1.0
  Ni  Ni3  1  0.0  0.66  0.93  1.0

Al Cd Ni Ni
Al Cd Ni Ni 0 2 - o o 0 1 - o - 0 3 o o o 1 3 o o o 1 3 o o + 1 1 + - o 1 2 o o o 1 2 o o + 
Ni2CdAl crystallizes in the triclinic P1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to two equivalent Cd(1) and one Al(1) atom. There is one shorter (2.52 Å) and one longer (2.99 Å) Ni(1)-Cd(1) bond length. The Ni(1)-Al(1) bond length is 1.04 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to two equivalent Cd(1) and one Al(1) atom. There is one shorter (2.52 Å) and one longer (2.99 Å) Ni(2)-Cd(1) bond length. The Ni(2)-Al(1) bond length is 1.44 Å. Cd(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Cd(1), and one Al(1) atom. Both Cd(1)-Cd(1) bond lengths are 2.80 Å. The Cd(1)-Al(1) bond length is 2.72 Å. Al(1) is bonded in a bent 150 degrees geometry to one Ni(1), one Ni(2), and one Cd(1) atom.