data_BSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   16.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2
_chemical_formula_sum   'B8 Sb16'
_cell_volume   711.66
_cell_formula_units_Z   8
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
  B  B0  1  0.0  0.0  0.29  1.0
  B  B1  1  0.0  0.0  0.49  1.0
  B  B2  1  0.0  0.0  0.9  1.0
  B  B3  1  0.0  0.0  0.88  1.0
  B  B4  1  0.0  0.04  0.08  1.0
  B  B5  1  0.5  0.02  0.7  1.0
  B  B6  1  0.5  0.02  0.46  1.0
  B  B7  1  0.0  0.04  0.31  1.0
  Sb  Sb8  1  0.0  0.04  0.67  1.0
  Sb  Sb9  1  0.5  0.02  0.11  1.0
  Sb  Sb10  1  0.5  0.02  0.28  1.0
  Sb  Sb11  1  0.0  0.04  0.5  1.0
  Sb  Sb12  1  0.75  0.03  0.39  1.0
  Sb  Sb13  1  0.5  0.0  0.39  1.0
  Sb  Sb14  1  0.25  0.03  0.39  1.0
  Sb  Sb15  1  0.75  0.03  0.0  1.0
  Sb  Sb16  1  0.5  0.0  0.0  1.0
  Sb  Sb17  1  0.25  0.03  0.0  1.0
  Sb  Sb18  1  0.03  0.18  0.58  1.0
  Sb  Sb19  1  0.0  0.77  0.58  1.0
  Sb  Sb20  1  0.97  0.18  0.58  1.0
  Sb  Sb21  1  0.47  0.88  0.19  1.0
  Sb  Sb22  1  0.5  0.29  0.19  1.0
  Sb  Sb23  1  0.53  0.88  0.19  1.0

data_BSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   16.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2
_chemical_formula_sum   'B8 Sb16'
_cell_volume   711.66
_cell_formula_units_Z   8
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
  B  B0  1  0.0  0.0  0.29  1.0
  B  B1  1  0.0  0.0  0.49  1.0
  B  B2  1  0.0  0.0  0.88  1.0
  B  B3  1  0.0  0.0  0.9  1.0
  B  B4  1  0.0  0.04  0.08  1.0
  B  B5  1  0.0  0.04  0.31  1.0
  B  B6  1  0.5  0.02  0.46  1.0
  B  B7  1  0.5  0.02  0.7  1.0
  Sb  Sb8  1  0.0  0.04  0.5  1.0
  Sb  Sb9  1  0.0  0.04  0.67  1.0
  Sb  Sb10  1  0.0  0.77  0.58  1.0
  Sb  Sb11  1  0.03  0.18  0.58  1.0
  Sb  Sb12  1  0.25  0.03  -0.0  1.0
  Sb  Sb13  1  0.25  0.03  0.39  1.0
  Sb  Sb14  1  0.47  0.88  0.19  1.0
  Sb  Sb15  1  0.5  0.0  0.0  1.0
  Sb  Sb16  1  0.5  0.0  0.39  1.0
  Sb  Sb17  1  0.5  0.02  0.11  1.0
  Sb  Sb18  1  0.5  0.02  0.28  1.0
  Sb  Sb19  1  0.5  0.29  0.19  1.0
  Sb  Sb20  1  0.53  0.88  0.19  1.0
  Sb  Sb21  1  0.75  0.03  -0.0  1.0
  Sb  Sb22  1  0.75  0.03  0.39  1.0
  Sb  Sb23  1  0.97  0.18  0.58  1.0

B B B B B B B B Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb
B B B B B B B B Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb 0 7 o o o 0 14 o o o 1 11 o o o 1 14 o o o 1 19 o - o 2 3 o o o 2 17 o o + 4 15 - o o 4 17 o o o 5 19 o - o 5 8 o o o 5 8 + o o 5 18 + o o 5 20 o o o 5 6 o o o 6 13 o o o 6 14 o o o 7 14 o o o 8 18 o o o 8 20 - o o 8 19 o - o 9 16 o o o 9 23 o - o 9 21 o - o 9 22 o o o 10 23 o - o 10 21 o - o 10 13 o o o 10 22 o o o 11 19 o - o 12 13 o o o 13 14 o o o 15 16 o o o 16 17 o o o 18 20 - o o 18 19 o - o 21 23 o o o 21 22 o + o 