data_NaLi2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2V
_chemical_formula_sum   'Na1 Li2 V1'
_cell_volume   83.4
_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  0.58  0.75  0.47  1.0
  Li  Li1  1  0.58  0.25  0.47  1.0
  V  V3  1  0.16  0.0  0.0  1.0

data_NaLi2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   109.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2V
_chemical_formula_sum   'Na1 Li2 V1'
_cell_volume   83.4
_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  Na0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.47  0.58  0.25  1.0
  Li  Li2  1  0.47  0.58  0.75  1.0
  V  V3  1  -0.0  0.16  0.0  1.0

Na Li Li V
NaLi2V crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to two equivalent Li(1) and one V(1) atom. There is one shorter (2.64 Å) and one longer (2.75 Å) Na(1)-Li(1) bond length. The Na(1)-V(1) bond length is 0.87 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Li(1), two equivalent Li(2), and two equivalent V(1) atoms. Both Li(1)-Li(1) bond lengths are 2.93 Å. There is one shorter (2.73 Å) and one longer (2.77 Å) Li(1)-Li(2) bond length. There is one shorter (3.37 Å) and one longer (3.45 Å) Li(1)-V(1) bond length. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. There is one shorter (2.64 Å) and one longer (2.75 Å) Li(2)-V(1) bond length. V(1) is bonded in a single-bond geometry to one Na(1), two equivalent Li(1), and two equivalent Li(2) atoms.