data_SiBiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   150.13
_cell_angle_beta   150.13
_cell_angle_gamma   42.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBiB
_chemical_formula_sum   'Si1 Bi1 B1'
_cell_volume   55.26
_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  Si2  1  0.0  0.0  0.54  1.0
  Bi  Bi1  1  0.0  0.0  0.64  1.0
  B  B0  1  0.0  0.0  0.11  1.0

data_SiBiB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   111.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiBiB
_chemical_formula_sum   'Si2 Bi2 B2'
_cell_volume   110.52
_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  0.46  1.0
  Bi  Bi1  2  0.0  0.0  0.36  1.0
  B  B2  2  0.0  0.0  0.89  1.0

Si Bi B
Si Bi B 0 1 o o o 0 2 + o + 0 2 o + + 0 2 o o + 0 2 o o o 1 2 o o + 1 2 o o o 2 2 + o + 2 2 o + + 