data_[B16P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.1981]
_cell_length_b [21.7768]
_cell_length_c [10.3078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [BP]
_chemical_formula_sum '[B16 P16]'
_cell_volume [1165.5359]
_cell_formula_units_Z [16]
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  2  0.1036  0.3869  0.5380  1
  B  B1  2  0.2693  0.4589  0.0685  1
  B  B2  2  0.3888  0.4169  0.5596  1
  B  B3  2  0.4766  0.4824  0.6381  1
  B  B4  2  0.6133  0.4435  0.0735  1
  B  B5  2  0.7052  0.4244  0.6129  1
  B  B6  2  0.8088  0.4988  0.6427  1
  B  B7  2  0.9489  0.4640  0.0101  1
  P  P8  2  0.0988  0.3780  0.9873  1
  P  P9  2  0.3764  0.4962  0.3120  1
  P  P10  2  0.3851  0.3837  0.1687  1
  P  P11  2  0.4623  0.4133  0.9059  1
  P  P12  2  0.5940  0.3570  0.4634  1
  P  P13  2  0.8608  0.3444  0.6440  1
  P  P14  2  0.9528  0.3891  0.3622  1
  P  P15  2  0.9552  0.4900  0.3296  1
]