data_VTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.0
_cell_angle_alpha   109.1
_cell_angle_beta   109.1
_cell_angle_gamma   111.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTeBr2
_chemical_formula_sum   'V1 Te1 Br2'
_cell_volume   101.34
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.26  0.0  0.0  1.0
  Br  Br0  1  0.47  0.39  0.63  1.0
  Br  Br1  1  0.47  0.61  0.63  1.0

data_VTeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   5.31
_cell_length_c   5.78
_cell_angle_alpha   116.4
_cell_angle_beta   109.1
_cell_angle_gamma   92.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTeBr2
_chemical_formula_sum   'V1 Te1 Br2'
_cell_volume   101.34
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.26  1.0
  Br  Br2  1  0.02  0.39  0.85  1.0
  Br  Br3  1  0.24  0.61  0.08  1.0

V Te Br Br
V Te Br Br 0 1 o o o 2 3 o o o 
VTeBr2 crystallizes in the triclinic P1 space group. V(1) is bonded in a 3-coordinate geometry to one Te(1), one Br(1), and one Br(2) atom. The V(1)-Te(1) bond length is 1.48 Å. The V(1)-Br(1) bond length is 2.47 Å. The V(1)-Br(2) bond length is 2.55 Å. Te(1) is bonded in a 4-coordinate geometry to one V(1), one Br(2), and two equivalent Br(1) atoms. The Te(1)-Br(2) bond length is 3.11 Å. There is one shorter (2.27 Å) and one longer (3.17 Å) Te(1)-Br(1) bond length. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one V(1), two equivalent Te(1), and one Br(2) atom. The Br(1)-Br(2) bond length is 1.31 Å. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one V(1), one Te(1), and one Br(1) atom.