data_NaTlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   147.55
_cell_angle_beta   134.76
_cell_angle_gamma   56.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlV2
_chemical_formula_sum   'Na1 Tl1 V2'
_cell_volume   72.47
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.07  1.0
  V  V2  1  0.0  0.22  0.43  1.0
  V  V3  1  0.61  0.0  0.64  1.0

data_NaTlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.44
_cell_length_c   5.77
_cell_angle_alpha   112.62
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlV2
_chemical_formula_sum   'Na1 Tl1 V2'
_cell_volume   72.47
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.07  0.07  1.0
  V  V2  1  0.0  0.64  0.03  1.0
  V  V3  1  0.78  0.21  0.21  1.0

Na Tl V V
NaV2Tl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaV2Tl cluster. Na(1) is bonded in a single-bond geometry to one V(2) and one Tl(1) atom. The Na(1)-V(2) bond length is 1.66 Å. The Na(1)-Tl(1) bond length is 0.42 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The V(1)-Tl(1) bond length is 1.21 Å. In the second V site, V(2) is bonded in a single-bond geometry to one Na(1) atom. Tl(1) is bonded in a single-bond geometry to one Na(1) and one V(1) atom.