data_Ga2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52
_cell_length_b   8.52
_cell_length_c   8.52
_cell_angle_alpha   21.64
_cell_angle_beta   21.64
_cell_angle_gamma   21.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2WBr
_chemical_formula_sum   'Ga2 W1 Br1'
_cell_volume   73.68
_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
  Ga  Ga1  1  0.0  0.0  0.86  1.0
  Ga  Ga2  1  0.0  0.0  0.08  1.0
  W  W3  1  0.0  0.0  0.47  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ga2WBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   102.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2WBr
_chemical_formula_sum   'Ga4 W2 Br2'
_cell_volume   147.35
_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
  Ga  Ga0  2  0.0  0.0  0.14  1.0
  Ga  Ga1  2  0.0  0.0  0.92  1.0
  W  W2  2  0.0  0.0  0.53  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Ga Ga W Br
Ga Ga W Br 0 3 o o + 0 2 o o o 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
WGa2Br crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted linear geometry to six W(1,1); one Ga(1); and one Ga(2) atom. All W(1)-W(1,1) bond lengths are 3.20 Å. The W(1)-Ga(1) bond length is 3.32 Å. The W(1)-Ga(2) bond length is 3.32 Å. In the second W site, W(1) is bonded in a distorted linear geometry to six W(1,1); one Ga(1); and one Ga(2) atom. Both W(1)-W(1) bond lengths are 3.20 Å. The W(1)-Ga(1) bond length is 3.32 Å. The W(1)-Ga(2) bond length is 3.32 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one W(1) and one Br(1) atom. The Ga(1)-Br(1) bond length is 1.17 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one W(1) and one Br(1) atom. The Ga(2)-Br(1) bond length is 0.72 Å. Br(1) is bonded in a linear geometry to one Ga(1) and one Ga(2) atom.