data_VAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   4.77
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   103.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAu2Br
_chemical_formula_sum   'V1 Au2 Br1'
_cell_volume   83.02
_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
  Au  Au0  1  0.7  0.38  0.05  1.0
  Au  Au1  1  0.93  0.38  0.64  1.0
  Br  Br2  1  0.31  0.0  0.34  1.0

data_VAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.77
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   103.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAu2Br
_chemical_formula_sum   'V1 Au2 Br1'
_cell_volume   83.02
_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
  Au  Au1  1  0.7  0.38  0.05  1.0
  Au  Au2  1  0.93  0.38  0.64  1.0
  Br  Br3  1  0.31  0.0  0.34  1.0

V Au Au Br
VAu2Br crystallizes in the triclinic P1 space group. V(1) is bonded in a 1-coordinate geometry to one Au(1), two equivalent Au(2), and one Br(1) atom. The V(1)-Au(1) bond length is 2.19 Å. There is one shorter (2.50 Å) and one longer (3.40 Å) V(1)-Au(2) bond length. The V(1)-Br(1) bond length is 1.79 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one V(1) and three equivalent Au(2) atoms. There are a spread of Au(1)-Au(2) bond distances ranging from 2.34-3.10 Å. In the second Au site, Au(2) is bonded in a 7-coordinate geometry to two equivalent V(1), three equivalent Au(1), and two equivalent Br(1) atoms. There is one shorter (2.88 Å) and one longer (3.02 Å) Au(2)-Br(1) bond length. Br(1) is bonded in a single-bond geometry to one V(1) and two equivalent Au(2) atoms.