data_BiBAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiBAs2
_chemical_formula_sum   'Bi1 B1 As2'
_cell_volume   85.37
_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
  Bi  Bi3  1  0.68  0.0  0.6  1.0
  B  B2  1  0.0  0.0  0.81  1.0
  As  As0  1  0.0  0.0  0.04  1.0
  As  As1  1  0.68  0.0  0.95  1.0

data_BiBAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.3
_cell_length_b   5.78
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiBAs2
_chemical_formula_sum   'Bi2 B2 As4'
_cell_volume   170.77
_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
  Bi  Bi0  2  0.18  0.5  0.6  1.0
  B  B1  2  0.0  0.0  0.81  1.0
  As  As2  2  0.0  0.0  0.04  1.0
  As  As3  2  0.18  0.5  0.95  1.0

Bi B As As
BBiAs2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BBiAs2 cluster. B(1) is bonded in a 1-coordinate geometry to one Bi(1) and one As(2) atom. The B(1)-Bi(1) bond length is 2.16 Å. The B(1)-As(2) bond length is 1.67 Å. Bi(1) is bonded in a distorted single-bond geometry to one B(1) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 1-coordinate geometry to one As(2) atom. The As(1)-As(2) bond length is 1.32 Å. In the second As site, As(2) is bonded in a distorted L-shaped geometry to one B(1) and one As(1) atom.