data_VGa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   150.99
_cell_angle_beta   128.79
_cell_angle_gamma   59.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Br
_chemical_formula_sum   'V1 Ga2 Br1'
_cell_volume   79.52
_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  0.13  1.0
  Ga  Ga1  1  0.0  0.0  0.23  1.0
  Ga  Ga2  1  0.0  0.58  0.19  1.0
  Br  Br0  1  0.49  0.0  0.12  1.0

data_VGa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.15
_cell_length_c   5.96
_cell_angle_alpha   115.61
_cell_angle_beta   104.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Br
_chemical_formula_sum   'V1 Ga2 Br1'
_cell_volume   79.52
_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  0.87  0.87  0.87  1.0
  Ga  Ga1  1  0.77  0.77  0.77  1.0
  Ga  Ga2  1  0.81  0.39  0.39  1.0
  Br  Br3  1  0.38  0.88  0.38  1.0

V Ga Ga Br
VGa2Br crystallizes in the triclinic P1 space group. V(1) is bonded in a single-bond geometry to one Ga(1), one Ga(2), and one Br(1) atom. The V(1)-Ga(1) bond length is 0.60 Å. The V(1)-Ga(2) bond length is 3.10 Å. The V(1)-Br(1) bond length is 2.97 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one V(1), one Ga(2), and one Br(1) atom. The Ga(1)-Ga(2) bond length is 2.34 Å. The Ga(1)-Br(1) bond length is 2.66 Å. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to one V(1), one Ga(1), two equivalent Ga(2), and four equivalent Br(1) atoms. Both Ga(2)-Ga(2) bond lengths are 2.99 Å. There are a spread of Ga(2)-Br(1) bond distances ranging from 2.87-3.10 Å. Br(1) is bonded in a 4-coordinate geometry to one V(1), one Ga(1), and four equivalent Ga(2) atoms.