data_NaLi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   22.04
_cell_angle_beta   22.04
_cell_angle_gamma   22.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Cl
_chemical_formula_sum   'Na1 Li2 Cl1'
_cell_volume   96.71
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.0  0.01  1.0
  Li  Li2  1  0.0  0.0  0.96  1.0
  Cl  Cl0  1  0.0  0.0  0.49  1.0

data_NaLi2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   3.52
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   102.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLi2Cl
_chemical_formula_sum   'Na2 Li4 Cl2'
_cell_volume   193.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Li  Li1  2  -0.0  0.0  0.99  1.0
  Li  Li2  2  -0.0  0.0  0.04  1.0
  Cl  Cl3  2  -0.0  0.0  0.51  1.0

Na Li Li Cl
Na Li Li Cl 0 1 o o o 0 2 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
(Li2Na)2Cl2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two hydrochloric acid atoms and two Li2Na clusters. In each Li2Na cluster, Na(1) is bonded in a linear geometry to one Li(1) and one Li(2) atom. The Na(1)-Li(1) bond length is 0.07 Å. The Na(1)-Li(2) bond length is 0.34 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Na(1) atom. In the second Li site, Li(2) is bonded in a single-bond geometry to one Na(1) atom.