data_Li2AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12
_cell_length_b   8.12
_cell_length_c   8.12
_cell_angle_alpha   158.03
_cell_angle_beta   157.82
_cell_angle_gamma   31.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlCl
_chemical_formula_sum   'Li2 Al1 Cl1'
_cell_volume   75.57
_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
  Li  Li2  1  0.0  0.0  0.29  1.0
  Li  Li3  1  0.55  0.0  0.37  1.0
  Al  Al0  1  0.0  0.0  0.04  1.0
  Cl  Cl1  1  0.0  0.56  0.21  1.0

data_Li2AlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.12
_cell_length_c   8.12
_cell_angle_alpha   101.09
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlCl
_chemical_formula_sum   'Li2 Al1 Cl1'
_cell_volume   75.57
_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
  Li  Li0  1  0.0  0.29  0.29  1.0
  Li  Li1  1  0.0  0.37  0.82  1.0
  Al  Al2  1  0.0  0.04  0.04  1.0
  Cl  Cl3  1  0.44  0.64  0.64  1.0

Li Li Al Cl
Li2AlCl crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one Cl(1) atom. The Li(1)-Al(1) bond length is 2.05 Å. The Li(1)-Cl(1) bond length is 2.94 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent Al(1) and four equivalent Cl(1) atoms. There is one shorter (2.21 Å) and one longer (2.47 Å) Li(2)-Al(1) bond length. There are a spread of Li(2)-Cl(1) bond distances ranging from 2.31-2.91 Å. Al(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Li(2) atoms. Cl(1) is bonded in a 5-coordinate geometry to one Li(1) and four equivalent Li(2) atoms.