data_NaLi2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   128.9
_cell_angle_beta   128.9
_cell_angle_gamma   75.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2V
_chemical_formula_sum   'Na1 Li2 V1'
_cell_volume   86.78
_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  Na2  1  0.0  0.0  0.0  1.0
  Li  Li0  1  0.0  0.28  0.09  1.0
  Li  Li1  1  0.28  0.0  0.09  1.0
  V  V3  1  0.0  0.0  0.18  1.0

data_NaLi2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   127.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLi2V
_chemical_formula_sum   'Na2 Li4 V2'
_cell_volume   173.56
_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  4  0.36  0.36  0.81  1.0
  V  V2  2  0.0  0.0  0.18  1.0

Na Li Li V
Na Li Li V 0 3 o o o 0 1 o o o 0 2 o o o 
NaLi2V is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaLi2V clusters. Na(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one V(1) atom. Both Na(1)-Li(1) bond lengths are 1.22 Å. The Na(1)-V(1) bond length is 0.97 Å. Li(1) is bonded in a single-bond geometry to one Na(1) atom. V(1) is bonded in a single-bond geometry to one Na(1) atom.