data_VB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.09
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VB2Au
_chemical_formula_sum   'V1 B2 Au1'
_cell_volume   42.75
_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  0.74  0.0  0.27  1.0
  B  B1  1  0.32  0.0  0.87  1.0
  B  B2  1  0.23  0.55  0.96  1.0
  Au  Au0  1  0.52  0.55  0.72  1.0

data_VB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.52
_cell_length_c   4.16
_cell_angle_alpha   109.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VB2Au
_chemical_formula_sum   'V1 B2 Au1'
_cell_volume   42.75
_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  0.26  0.73  1.0
  B  B1  1  0.0  0.68  0.13  1.0
  B  B2  1  0.45  0.77  0.04  1.0
  Au  Au3  1  0.45  0.48  0.28  1.0

V B B Au
V B B Au 0 1 o o - 1 2 o - o 1 2 o o o 1 3 o - o 1 3 o o o 2 3 o o o 
VAuB2 crystallizes in the triclinic P1 space group. V(1) is bonded in a 1-coordinate geometry to two equivalent Au(1) and two equivalent B(1) atoms. There is one shorter (2.67 Å) and one longer (2.83 Å) V(1)-Au(1) bond length. There is one shorter (1.81 Å) and one longer (2.66 Å) V(1)-B(1) bond length. Au(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent B(1), and two equivalent B(2) atoms. There is one shorter (1.78 Å) and one longer (2.01 Å) Au(1)-B(1) bond length. There is one shorter (1.66 Å) and one longer (2.36 Å) Au(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent Au(1), and two equivalent B(2) atoms. There is one shorter (1.51 Å) and one longer (1.78 Å) B(1)-B(2) bond length. In the second B site, B(2) is bonded in a 1-coordinate geometry to two equivalent Au(1) and two equivalent B(1) atoms.