data_TlVCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   142.15
_cell_angle_beta   128.97
_cell_angle_gamma   65.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVCu2
_chemical_formula_sum   'Tl1 V1 Cu2'
_cell_volume   63.22
_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
  Tl  Tl2  1  0.66  0.0  0.21  1.0
  V  V3  1  0.0  0.0  0.56  1.0
  Cu  Cu0  1  0.66  0.0  0.15  1.0
  Cu  Cu1  1  0.0  0.0  0.03  1.0

data_TlVCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.41
_cell_length_c   5.12
_cell_angle_alpha   115.51
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVCu2
_chemical_formula_sum   'Tl1 V1 Cu2'
_cell_volume   63.22
_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
  Tl  Tl0  1  0.0  0.21  0.55  1.0
  V  V1  1  0.0  0.56  0.56  1.0
  Cu  Cu2  1  0.0  0.03  0.03  1.0
  Cu  Cu3  1  0.0  0.15  0.48  1.0

Tl V Cu Cu
VCu2Tl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one VCu2Tl cluster. V(1) is bonded in a 2-coordinate geometry to one Cu(2) and one Tl(1) atom. The V(1)-Cu(2) bond length is 2.39 Å. The V(1)-Tl(1) bond length is 1.53 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Tl(1) atom. The Cu(1)-Tl(1) bond length is 0.32 Å. In the second Cu site, Cu(2) is bonded in a 1-coordinate geometry to one V(1) atom. Tl(1) is bonded in a single-bond geometry to one V(1) and one Cu(1) atom.