data_Tl2VCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VCl
_chemical_formula_sum   'Tl2 V1 Cl1'
_cell_volume   93.34
_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  0.88  0.9  0.63  1.0
  Tl  Tl2  1  0.88  0.1  0.63  1.0
  V  V3  1  0.77  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Tl2VCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2VCl
_chemical_formula_sum   'Tl2 V1 Cl1'
_cell_volume   93.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.63  0.1  0.88  1.0
  V  V1  1  0.0  0.0  0.77  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Tl Tl V Cl
Tl Tl V Cl 0 1 o + o 0 2 o + + 0 3 + + + 1 2 o o + 1 3 + o + 2 3 + o o 
VTl2Cl crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one VTl2Cl cluster. V(1) is bonded in a single-bond geometry to one Cl(1) atom. The V(1)-Cl(1) bond length is 1.25 Å. Tl(1) is bonded in a 2-coordinate geometry to one Tl(1) and one Cl(1) atom. The Tl(1)-Tl(1) bond length is 1.04 Å. The Tl(1)-Cl(1) bond length is 1.46 Å. Cl(1) is bonded in a single-bond geometry to one V(1) and two equivalent Tl(1) atoms.