[CIF]
data_B3PBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19886789
_cell_length_b   3.17694196
_cell_length_c   19.16458161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3PBr
_chemical_formula_sum   'B12 P4 Br4'
_cell_volume   316.53184176
_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  4.55411516  0.79423549  3.14859396  1
  B  B1  1  3.24418668  2.38270647  12.73088476  1
  B  B2  1  0.64475273  2.38270647  16.01598765  1
  B  B3  1  1.95468121  0.79423549  6.43369685  1
  B  B4  1  5.16067280  0.79423549  6.26984044  1
  B  B5  1  2.63762904  2.38270647  15.85213125  1
  B  B6  1  0.03819509  2.38270647  12.89474117  1
  B  B7  1  2.56123885  0.79423549  3.31245036  1
  B  B8  1  2.97574511  0.79423549  15.39169182  1
  B  B9  1  4.82255673  2.38270647  5.80940102  1
  B  B10  1  2.22312278  2.38270647  3.77288979  1
  B  B11  1  0.37631116  0.79423549  13.35518059  1
  Br  Br12  1  3.78680541  0.79423549  1.27754781  1
  Br  Br13  1  4.01149643  2.38270647  10.85983861  1
  Br  Br14  1  1.41206248  2.38270647  17.88703380  1
  Br  Br15  1  1.18737146  0.79423549  8.30474300  1
  P  P16  1  4.90955022  0.79423549  15.38271839  1
  P  P17  1  2.88875162  2.38270647  5.80042759  1
  P  P18  1  0.28931767  2.38270647  3.78186322  1
  P  P19  1  2.31011627  0.79423549  13.36415402  1
[/CIF]
