data_Tl2VGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VGa
_chemical_formula_sum   'Tl2 V1 Ga1'
_cell_volume   84.71
_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  Tl1  1  0.62  0.0  0.55  1.0
  Tl  Tl2  1  0.0  0.62  0.55  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.62  0.62  0.0  1.0

data_Tl2VGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2VGa
_chemical_formula_sum   'Tl4 V2 Ga2'
_cell_volume   169.41
_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
  Tl  Tl0  4  0.31  0.31  0.55  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.12  0.5  0.0  1.0

Tl Tl V Ga
VTl2Ga crystallizes in the monoclinic Cm space group. V(1) is bonded in a 11-coordinate geometry to two equivalent V(1), eight equivalent Tl(1), and one Ga(1) atom. Both V(1)-V(1) bond lengths are 3.10 Å. There are a spread of V(1)-Tl(1) bond distances ranging from 2.45-3.64 Å. The V(1)-Ga(1) bond length is 2.85 Å. Tl(1) is bonded in a 4-coordinate geometry to four equivalent V(1) and two equivalent Ga(1) atoms. There is one shorter (2.45 Å) and one longer (2.63 Å) Tl(1)-Ga(1) bond length. Ga(1) is bonded in a 4-coordinate geometry to one V(1) and four equivalent Tl(1) atoms.