data_Ti2TlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlV
_chemical_formula_sum   'Ti2 Tl1 V1'
_cell_volume   70.57
_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
  Ti  Ti0  1  0.0  0.12  0.97  1.0
  Ti  Ti1  1  0.12  0.0  0.97  1.0
  Tl  Tl2  1  0.12  0.12  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_Ti2TlV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2TlV
_chemical_formula_sum   'Ti4 Tl2 V2'
_cell_volume   141.14
_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
  Ti  Ti0  4  0.06  0.06  0.97  1.0
  Tl  Tl1  2  0.12  0.0  -0.0  1.0
  V  V2  2  0.0  0.0  0.0  1.0

Ti Ti Tl V
Ti Ti Tl V 0 3 o o + 0 2 o o + 1 3 o o + 1 2 o o + 
Ti2VTl is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ti2VTl clusters. Ti(1) is bonded in an L-shaped geometry to one V(1) and one Tl(1) atom. The Ti(1)-V(1) bond length is 0.51 Å. The Ti(1)-Tl(1) bond length is 0.51 Å. V(1) is bonded in an L-shaped geometry to two equivalent Ti(1) atoms. Tl(1) is bonded in an L-shaped geometry to two equivalent Ti(1) atoms.