data_[B9P9]
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 [P2]
_cell_length_a [5.2027]
_cell_length_b [19.0196]
_cell_length_c [8.7421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [BP]
_chemical_formula_sum '[B9 P9]'
_cell_volume [858.1154]
_cell_formula_units_Z [9]
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  0.1242  0.4167  0.5658  1
  B  B1  2  0.2582  0.4187  0.7437  1
  B  B2  2  0.3729  0.4790  0.5591  1
  B  B3  2  0.4543  0.4320  0.9067  1
  B  B4  1  0.0000  0.5321  0.0000  1
  P  P5  2  0.0331  0.4979  0.8029  1
  P  P6  2  0.2161  0.5771  0.5101  1
  P  P7  2  0.2591  0.5949  0.7644  1
  P  P8  2  0.4424  0.5037  0.2319  1
  P  P9  1  0.0000  0.6280  0.0000  1
]