data_VBAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBAs2
_chemical_formula_sum   'V1 B1 As2'
_cell_volume   55.83
_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  0.54  0.0  0.0  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.27  0.28  0.59  1.0
  As  As1  1  0.27  0.72  0.59  1.0

data_VBAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.28
_cell_length_c   4.28
_cell_angle_alpha   107.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBAs2
_chemical_formula_sum   'V1 B1 As2'
_cell_volume   55.83
_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  0.54  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.59  0.27  0.72  1.0
  As  As3  1  0.59  0.27  0.28  1.0

V B As As
VBAs2 crystallizes in the triclinic P1 space group. V(1) is bonded in a 6-coordinate geometry to two equivalent B(1), two equivalent As(1), and two equivalent As(2) atoms. There is one shorter (1.95 Å) and one longer (2.33 Å) V(1)-B(1) bond length. There is one shorter (2.29 Å) and one longer (2.68 Å) V(1)-As(1) bond length. There is one shorter (1.91 Å) and one longer (2.36 Å) V(1)-As(2) bond length. B(1) is bonded in a 2-coordinate geometry to two equivalent V(1) and two equivalent As(1) atoms. There is one shorter (1.91 Å) and one longer (2.36 Å) B(1)-As(1) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent B(1), and two equivalent As(2) atoms. There is one shorter (1.89 Å) and one longer (2.39 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 1-coordinate geometry to two equivalent V(1) and two equivalent As(1) atoms.