data_B3P2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3P2Cl
_chemical_formula_sum   'B12 P8 Cl4'
_cell_volume   348.36
_cell_formula_units_Z   4
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  0.08  0.38  0.52  1.0
  B  B1  1  0.95  0.15  0.52  1.0
  B  B2  1  0.98  0.56  0.52  1.0
  B  B3  1  0.85  0.01  0.52  1.0
  B  B4  1  0.4  0.19  0.52  1.0
  B  B5  1  0.1  0.35  0.52  1.0
  B  B6  1  0.64  0.43  0.52  1.0
  B  B7  1  0.49  0.38  0.52  1.0
  B  B8  1  0.87  0.28  0.52  1.0
  B  B9  1  0.71  0.91  0.52  1.0
  B  B10  1  0.45  0.76  0.52  1.0
  B  B11  1  0.18  0.88  0.52  1.0
  P  P16  1  0.78  0.18  0.14  1.0
  P  P17  1  0.78  0.18  0.9  1.0
  P  P18  1  0.41  0.91  0.84  1.0
  P  P19  1  0.92  0.95  0.84  1.0
  P  P20  1  0.67  0.23  0.84  1.0
  P  P21  1  0.41  0.91  0.19  1.0
  P  P22  1  0.92  0.95  0.19  1.0
  P  P23  1  0.67  0.23  0.19  1.0
  Cl  Cl12  1  0.09  0.85  0.0  1.0
  Cl  Cl13  1  0.4  0.97  0.0  1.0
  Cl  Cl14  1  0.51  0.28  0.0  1.0
  Cl  Cl15  1  0.0  0.0  0.0  1.0

data_B3P2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.03
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3P2Cl
_chemical_formula_sum   'B12 P8 Cl4'
_cell_volume   348.36
_cell_formula_units_Z   4
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  0.52  0.08  0.38  1.0
  B  B1  1  0.52  0.1  0.35  1.0
  B  B2  1  0.52  0.18  0.88  1.0
  B  B3  1  0.52  0.4  0.19  1.0
  B  B4  1  0.52  0.45  0.76  1.0
  B  B5  1  0.52  0.49  0.38  1.0
  B  B6  1  0.52  0.64  0.43  1.0
  B  B7  1  0.52  0.71  0.91  1.0
  B  B8  1  0.52  0.85  0.01  1.0
  B  B9  1  0.52  0.87  0.28  1.0
  B  B10  1  0.52  0.95  0.15  1.0
  B  B11  1  0.52  0.98  0.56  1.0
  P  P12  1  0.14  0.78  0.18  1.0
  P  P13  1  0.19  0.41  0.91  1.0
  P  P14  1  0.19  0.67  0.23  1.0
  P  P15  1  0.19  0.92  0.95  1.0
  P  P16  1  0.84  0.41  0.91  1.0
  P  P17  1  0.84  0.67  0.23  1.0
  P  P18  1  0.84  0.92  0.95  1.0
  P  P19  1  0.9  0.78  0.18  1.0
  Cl  Cl20  1  0.0  0.0  0.0  1.0
  Cl  Cl21  1  0.0  0.51  0.28  1.0
  Cl  Cl22  1  0.0  0.09  0.85  1.0
  Cl  Cl23  1  0.0  0.4  0.97  1.0

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