data_TlVSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   131.87
_cell_angle_beta   131.87
_cell_angle_gamma   70.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVSn2
_chemical_formula_sum   'Tl1 V1 Sn2'
_cell_volume   95.35
_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  0.0  0.0  0.57  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.28  0.0  0.29  1.0
  Sn  Sn1  1  0.0  0.28  0.29  1.0

data_TlVSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   125.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlVSn2
_chemical_formula_sum   'Tl2 V2 Sn4'
_cell_volume   190.69
_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  2  0.43  0.0  0.43  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  4  0.35  0.36  1.0  1.0

Tl V Sn Sn
Tl V Sn Sn 0 3 o o o 0 3 o o + 0 3 o - o 0 2 - o o 0 2 o o o 0 2 o o + 0 1 o o o 0 1 o o + 1 3 o o o 1 2 o o o 
VTlSn2 crystallizes in the monoclinic Cm space group. V(1) is bonded in an L-shaped geometry to one Tl(1) and two equivalent Sn(1) atoms. The V(1)-Tl(1) bond length is 2.39 Å. Both V(1)-Sn(1) bond lengths are 1.30 Å. Tl(1) is bonded in a 5-coordinate geometry to one V(1) and four equivalent Sn(1) atoms. There are two shorter (2.91 Å) and two longer (3.18 Å) Tl(1)-Sn(1) bond lengths. Sn(1) is bonded in a single-bond geometry to one V(1) and two equivalent Tl(1) atoms.