data_V2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TeBr
_chemical_formula_sum   'V2 Te1 Br1'
_cell_volume   81.83
_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  V2  1  0.44  0.0  0.72  1.0
  V  V3  1  0.0  0.44  0.72  1.0
  Te  Te1  1  0.44  0.44  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_V2TeBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2TeBr
_chemical_formula_sum   'V4 Te2 Br2'
_cell_volume   163.67
_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
  V  V0  4  0.22  0.22  0.72  1.0
  Te  Te1  2  0.44  0.0  0.0  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

V V Te Br
V V Te Br 0 3 o o + 0 2 o o + 1 3 o o + 1 2 o o + 
V2TeBr crystallizes in the monoclinic Cm space group. V(1) is bonded in a 6-coordinate geometry to three equivalent Te(1) and three equivalent Br(1) atoms. There are a spread of V(1)-Te(1) bond distances ranging from 2.33-3.28 Å. There are a spread of V(1)-Br(1) bond distances ranging from 2.33-3.28 Å. Te(1) is bonded in a 4-coordinate geometry to six equivalent V(1) atoms. Br(1) is bonded in a 4-coordinate geometry to six equivalent V(1) atoms.