data_SiBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   119.44
_cell_angle_beta   119.44
_cell_angle_gamma   90.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi2B
_chemical_formula_sum   'Si1 Bi2 B1'
_cell_volume   87.3
_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
  Si  Si3  1  0.0  0.0  0.48  1.0
  Bi  Bi1  1  0.5  0.0  0.74  1.0
  Bi  Bi2  1  0.0  0.5  0.74  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SiBi2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.96
_cell_length_b   7.08
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   134.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiBi2B
_chemical_formula_sum   'Si2 Bi4 B2'
_cell_volume   174.6
_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
  Si  Si0  2  0.0  0.0  0.52  1.0
  Bi  Bi1  4  0.25  0.25  0.26  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Si Bi Bi B
Si Bi Bi B 0 2 o o o 0 3 o o o 0 3 o o + 0 1 o o o 1 3 + o + 2 3 o + + 
BSiBi2 crystallizes in the monoclinic Cm space group. B(1) is bonded in a see-saw-like geometry to two equivalent Si(1) and two equivalent Bi(1) atoms. There is one shorter (2.39 Å) and one longer (2.58 Å) B(1)-Si(1) bond length. Both B(1)-Bi(1) bond lengths are 2.15 Å. Si(1) is bonded in a distorted see-saw-like geometry to two equivalent B(1) and two equivalent Bi(1) atoms. Both Si(1)-Bi(1) bond lengths are 2.18 Å. Bi(1) is bonded in a linear geometry to one B(1) and one Si(1) atom.