data_AlNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.3
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   91.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Cl
_chemical_formula_sum   'Al1 Ni2 Cl1'
_cell_volume   55.84
_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  0.38  0.0  0.82  1.0
  Ni  Ni2  1  0.81  0.0  0.31  1.0
  Ni  Ni3  1  0.8  0.15  0.34  1.0
  Cl  Cl1  1  0.09  0.15  0.6  1.0

data_AlNi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.3
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   91.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Cl
_chemical_formula_sum   'Al1 Ni2 Cl1'
_cell_volume   55.84
_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  0.38  0.0  0.82  1.0
  Ni  Ni1  1  0.8  0.15  0.34  1.0
  Ni  Ni2  1  0.81  0.0  0.31  1.0
  Cl  Cl3  1  0.09  0.15  0.6  1.0

Al Ni Ni Cl
Al Ni Ni Cl 0 3 o o o 1 2 o o o 1 3 + o o 2 3 + o o 
Ni2AlCl 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) atom. The Ni(1)-Ni(2) bond length is 0.65 Å. In the second Ni site, Ni(2) is bonded in a distorted water-like geometry to one Ni(1) and one Cl(1) atom. The Ni(2)-Cl(1) bond length is 1.40 Å. Al(1) is bonded in a distorted single-bond geometry to one Cl(1) atom. The Al(1)-Cl(1) bond length is 1.43 Å. Cl(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one Al(1) atom.