data_LiAl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.46
_cell_angle_alpha   107.94
_cell_angle_beta   107.94
_cell_angle_gamma   32.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Cr
_chemical_formula_sum   'Li1 Al2 Cr1'
_cell_volume   55.47
_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  Li3  1  0.24  0.0  0.34  1.0
  Al  Al0  1  0.65  0.0  0.01  1.0
  Al  Al1  1  0.79  0.0  0.32  1.0
  Cr  Cr2  1  0.1  0.0  0.88  1.0

data_LiAl2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.46
_cell_length_c   4.97
_cell_angle_alpha   107.94
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Cr
_chemical_formula_sum   'Li1 Al2 Cr1'
_cell_volume   55.47
_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  0.34  0.24  1.0
  Al  Al1  1  0.0  0.01  0.65  1.0
  Al  Al2  1  0.0  0.32  0.79  1.0
  Cr  Cr3  1  0.0  0.88  0.1  1.0

Li Al Al Cr
LiCrAl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiCrAl2 cluster. Li(1) is bonded in a 2-coordinate geometry to one Cr(1) and one Al(2) atom. The Li(1)-Cr(1) bond length is 1.93 Å. The Li(1)-Al(2) bond length is 2.21 Å. Cr(1) is bonded in a distorted single-bond geometry to one Li(1) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Al(2) atom. The Al(1)-Al(2) bond length is 1.32 Å. In the second Al site, Al(2) is bonded in a distorted water-like geometry to one Li(1) and one Al(1) atom.