data_NaLiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiCl2
_chemical_formula_sum   'Na1 Li1 Cl2'
_cell_volume   78.44
_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  0.41  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.7  0.7  0.17  1.0
  Cl  Cl1  1  0.7  0.7  0.64  1.0

data_NaLiCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLiCl2
_chemical_formula_sum   'Na2 Li2 Cl4'
_cell_volume   156.88
_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  0.41  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.2  0.5  0.17  1.0
  Cl  Cl3  2  0.2  0.5  0.64  1.0

Na Li Cl Cl
NaLiCl2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a distorted L-shaped geometry to one Cl(1) and three equivalent Cl(2) atoms. The Na(1)-Cl(1) bond length is 2.16 Å. There is one shorter (2.16 Å) and two longer (3.04 Å) Na(1)-Cl(2) bond lengths. Li(1) is bonded in a distorted single-bond geometry to one Cl(1) and one Cl(2) atom. The Li(1)-Cl(1) bond length is 1.86 Å. The Li(1)-Cl(2) bond length is 2.85 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Na(1) and one Li(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one Li(1) atom.