data_WBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22
_cell_length_b   10.22
_cell_length_c   10.22
_cell_angle_alpha   18.52
_cell_angle_beta   18.52
_cell_angle_gamma   18.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr3
_chemical_formula_sum   'W1 Br3'
_cell_volume   94.05
_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
  W  W3  1  0.0  0.0  0.06  1.0
  Br  Br0  1  0.0  0.0  0.28  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.0  0.85  1.0

data_WBr3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   3.29
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   WBr3
_chemical_formula_sum   'W2 Br6'
_cell_volume   188.11
_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
  W  W0  2  -0.0  0.0  0.94  1.0
  Br  Br1  2  -0.0  0.0  0.15  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0
  Br  Br3  2  0.0  0.0  0.72  1.0

W Br Br Br
W Br Br Br 0 2 o o o 0 1 o o o 2 3 o o - 
WBr3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two WBr3 clusters. W(1) is bonded in a single-bond geometry to one Br(1) and one Br(2) atom. The W(1)-Br(1) bond length is 2.22 Å. The W(1)-Br(2) bond length is 0.64 Å. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one W(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one W(1) and one Br(3) atom. The Br(2)-Br(3) bond length is 1.58 Å. In the third Br site, Br(3) is bonded in a single-bond geometry to one Br(2) atom.