data_AlNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   139.48
_cell_angle_beta   139.48
_cell_angle_gamma   58.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Cl
_chemical_formula_sum   'Al1 Ni2 Cl1'
_cell_volume   54.17
_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
  Ni  Ni2  1  0.0  0.0  0.41  1.0
  Ni  Ni3  1  0.75  0.0  0.21  1.0
  Cl  Cl1  1  0.0  0.75  0.21  1.0

data_AlNi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   5.06
_cell_angle_alpha   110.26
_cell_angle_beta   110.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Cl
_chemical_formula_sum   'Al1 Ni2 Cl1'
_cell_volume   54.17
_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
  Ni  Ni1  1  0.59  0.0  0.59  1.0
  Ni  Ni2  1  0.79  0.0  0.55  1.0
  Cl  Cl3  1  0.55  0.75  0.55  1.0

Al Ni Ni Cl
Al Ni Ni Cl 0 2 - o o 0 3 o - o 0 1 o o o 1 2 - o o 1 3 o - o 
Ni2AlCl is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ni2AlCl cluster. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Ni(2) and one Cl(1) atom. The Ni(1)-Ni(2) bond length is 0.82 Å. The Ni(1)-Cl(1) bond length is 0.82 Å. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Ni(1) and one Cl(1) atom. The Ni(2)-Cl(1) bond length is 1.23 Å. Al(1) is bonded in a 1-coordinate geometry to one Cl(1) atom. The Al(1)-Cl(1) bond length is 2.16 Å. Cl(1) is bonded in a single-bond geometry to one Ni(1), one Ni(2), and one Al(1) atom.