[CIF]
data_BP3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76629550
_cell_length_b   7.76629550
_cell_length_c   7.76629550
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP3Br
_chemical_formula_sum   'B4 P12 Br4'
_cell_volume   468.42679862
_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  0.71431901  4.59746676  7.05197649  1
  B  B1  1  3.16882874  3.16882874  3.16882874  1
  B  B2  1  7.05197649  0.71431901  4.59746676  1
  B  B3  1  4.59746676  7.05197649  0.71431901  1
  Br  Br4  1  3.80068274  7.68383049  3.96561276  1
  Br  Br5  1  0.08246501  0.08246501  0.08246501  1
  Br  Br6  1  3.96561276  3.80068274  7.68383049  1
  Br  Br7  1  7.68383049  3.96561276  3.80068274  1
  P  P8  1  2.75589450  2.21076618  4.76759888  1
  P  P9  1  1.12725325  5.55552932  0.88445113  1
  P  P10  1  5.01040100  6.09391393  6.88184437  1
  P  P11  1  6.63904225  1.67238157  2.99869662  1
  P  P12  1  2.99869662  6.63904225  1.67238157  1
  P  P13  1  6.88184437  5.01040100  6.09391393  1
  P  P14  1  0.88445113  1.12725325  5.55552932  1
  P  P15  1  4.76759888  2.75589450  2.21076618  1
  P  P16  1  6.09391393  6.88184437  5.01040100  1
  P  P17  1  1.67238157  2.99869662  6.63904225  1
  P  P18  1  2.21076618  4.76759888  2.75589450  1
  P  P19  1  5.55552932  0.88445113  1.12725325  1
[/CIF]
