data_Tl2VGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   149.2
_cell_angle_beta   128.73
_cell_angle_gamma   61.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VGe
_chemical_formula_sum   'Tl2 V1 Ge1'
_cell_volume   87.1
_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  0.6  0.0  0.42  1.0
  Tl  Tl2  1  0.0  0.61  0.78  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.2  1.0

data_Tl2VGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.22
_cell_length_c   6.04
_cell_angle_alpha   115.63
_cell_angle_beta   105.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VGe
_chemical_formula_sum   'Tl2 V1 Ge1'
_cell_volume   87.1
_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  0.18  0.58  0.18  1.0
  Tl  Tl1  1  0.22  0.83  0.83  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.8  0.8  0.8  1.0

Tl Tl V Ge
Tl Tl V Ge 0 1 o - - 0 1 + o o 0 2 o o o 0 2 + o + 0 0 o + + 0 3 o o o 0 3 + o o 1 2 o + + 1 3 o + + 2 3 o o o 
VTl2Ge crystallizes in the triclinic P1 space group. V(1) is bonded in a distorted single-bond geometry to one Tl(2), two equivalent Tl(1), and one Ge(1) atom. The V(1)-Tl(2) bond length is 1.39 Å. There is one shorter (2.74 Å) and one longer (2.85 Å) V(1)-Tl(1) bond length. The V(1)-Ge(1) bond length is 1.21 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent Tl(1), two equivalent Tl(2), and two equivalent Ge(1) atoms. Both Tl(1)-Tl(1) bond lengths are 3.21 Å. There is one shorter (2.97 Å) and one longer (3.51 Å) Tl(1)-Tl(2) bond length. There is one shorter (3.00 Å) and one longer (3.38 Å) Tl(1)-Ge(1) bond length. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one V(1), two equivalent Tl(1), and two equivalent Ge(1) atoms. There is one shorter (1.31 Å) and one longer (1.92 Å) Tl(2)-Ge(1) bond length. Ge(1) is bonded in a 3-coordinate geometry to one V(1), two equivalent Tl(1), and two equivalent Tl(2) atoms.