data_B7PBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44
_cell_length_b   4.49
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B7PBr
_chemical_formula_sum   'B14 P2 Br2'
_cell_volume   312.44
_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  0.27  0.62  0.8  1.0
  B  B1  1  0.17  0.87  0.13  1.0
  B  B2  1  0.96  0.03  0.97  1.0
  B  B3  1  0.06  0.46  0.64  1.0
  B  B4  1  0.39  0.19  0.38  1.0
  B  B5  1  0.49  0.3  0.05  1.0
  B  B6  1  0.79  0.62  0.28  1.0
  B  B7  1  0.89  0.87  0.95  1.0
  B  B8  1  0.38  0.59  0.38  1.0
  B  B9  1  0.48  0.9  0.05  1.0
  B  B10  1  0.97  0.63  0.45  1.0
  B  B11  1  0.06  0.86  0.12  1.0
  B  B12  1  0.15  0.62  0.02  1.0
  B  B13  1  0.25  0.87  0.69  1.0
  P  P16  1  0.38  0.25  0.39  1.0
  P  P17  1  0.47  0.25  0.06  1.0
  Br  Br14  1  0.54  0.24  0.94  1.0
  Br  Br15  1  0.44  0.26  0.28  1.0

data_B7PBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   6.66
_cell_length_c   10.44
_cell_angle_alpha   91.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B7PBr
_chemical_formula_sum   'B14 P2 Br2'
_cell_volume   312.44
_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  0.03  0.97  0.96  1.0
  B  B1  1  0.19  0.38  0.39  1.0
  B  B2  1  0.3  0.05  0.49  1.0
  B  B3  1  0.46  0.64  0.06  1.0
  B  B4  1  0.59  0.38  0.38  1.0
  B  B5  1  0.62  0.28  0.79  1.0
  B  B6  1  0.62  0.8  0.27  1.0
  B  B7  1  0.62  0.02  0.15  1.0
  B  B8  1  0.63  0.45  0.97  1.0
  B  B9  1  0.86  0.12  0.06  1.0
  B  B10  1  0.87  0.69  0.25  1.0
  B  B11  1  0.87  0.13  0.17  1.0
  B  B12  1  0.87  0.95  0.89  1.0
  B  B13  1  0.9  0.05  0.48  1.0
  P  P14  1  0.25  0.06  0.47  1.0
  P  P15  1  0.25  0.39  0.38  1.0
  Br  Br16  1  0.24  0.94  0.54  1.0
  Br  Br17  1  0.26  0.28  0.44  1.0

B B B B B B B B B B B B B B P P Br Br