data_B5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5Pb4
_chemical_formula_sum   'B10 Pb8'
_cell_volume   359.91
_cell_formula_units_Z   2
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  0.94  0.1  0.76  1.0
  B  B1  1  0.47  0.0  0.76  1.0
  B  B2  1  0.27  0.27  0.76  1.0
  B  B3  1  0.73  0.27  0.92  1.0
  B  B4  1  0.89  0.0  0.92  1.0
  B  B5  1  0.06  0.1  0.92  1.0
  B  B6  1  0.0  0.25  0.84  1.0
  B  B7  1  0.68  0.12  0.0  1.0
  B  B8  1  0.68  0.12  0.84  1.0
  B  B9  1  0.0  0.25  0.0  1.0
  Pb  Pb10  1  0.0  0.0  0.84  1.0
  Pb  Pb11  1  0.0  0.0  0.0  1.0
  Pb  Pb12  1  0.71  0.96  0.76  1.0
  Pb  Pb13  1  0.93  0.0  0.76  1.0
  Pb  Pb14  1  0.03  0.41  0.76  1.0
  Pb  Pb15  1  0.97  0.41  0.92  1.0
  Pb  Pb16  1  0.42  0.0  0.92  1.0
  Pb  Pb17  1  0.29  0.96  0.92  1.0

data_B5Pb4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5Pb4
_chemical_formula_sum   'B10 Pb8'
_cell_volume   359.91
_cell_formula_units_Z   2
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  0.25  0.0  1.0
  B  B1  1  0.0  0.25  0.84  1.0
  B  B2  1  0.06  0.1  0.92  1.0
  B  B3  1  0.27  0.27  0.76  1.0
  B  B4  1  0.47  0.0  0.76  1.0
  B  B5  1  0.68  0.12  0.0  1.0
  B  B6  1  0.68  0.12  0.84  1.0
  B  B7  1  0.73  0.27  0.92  1.0
  B  B8  1  0.89  0.0  0.92  1.0
  B  B9  1  0.94  0.1  0.76  1.0
  Pb  Pb10  1  0.0  0.0  0.0  1.0
  Pb  Pb11  1  0.0  0.0  0.84  1.0
  Pb  Pb12  1  0.03  0.41  0.76  1.0
  Pb  Pb13  1  0.29  0.96  0.92  1.0
  Pb  Pb14  1  0.42  0.0  0.92  1.0
  Pb  Pb15  1  0.71  0.96  0.76  1.0
  Pb  Pb16  1  0.93  0.0  0.76  1.0
  Pb  Pb17  1  0.97  0.41  0.92  1.0

B B B B B B B B B B Pb Pb Pb Pb Pb Pb Pb Pb
B B B B B B B B B B Pb Pb Pb Pb Pb Pb Pb Pb 0 13 o o o 0 2 + o o 0 6 + o o 0 12 o - o 1 16 o o o 1 8 o o o 2 10 o o o 2 6 o o o 2 5 o o o 2 13 - o o 2 14 o o o 3 8 o o o 3 7 o o + 3 15 o o o 4 10 + o o 4 11 + o + 4 5 + o o 4 12 o - o 5 10 o o o 5 11 o o + 5 9 o o + 6 14 o o o 6 9 o o + 6 15 - o o 7 8 o o - 8 12 o - o 9 15 - o - 10 13 - o o 12 13 o + o 14 15 - o o 16 17 o - o 