data_[B1P2H5]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4686]
_cell_length_b [4.9898]
_cell_length_c [5.4958]
_cell_angle_alpha [111.7879]
_cell_angle_beta [102.4249]
_cell_angle_gamma [102.5628]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BP2H5]
_chemical_formula_sum '[B1 P2 H5]'
_cell_volume [104.9795]
_cell_formula_units_Z [1]
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  0.0792  0.1226  0.1328  1
  P  P1  1  0.3042  0.8814  0.9257  1
  P  P2  1  0.7169  0.1485  0.8646  1
  H  H3  1  0.0998  0.6599  0.6572  1
  H  H4  1  0.2771  0.3758  0.2781  1
  H  H5  1  0.4135  0.6922  0.0381  1
  H  H6  1  0.6810  0.8964  0.6130  1
  H  H7  1  0.9821  0.0002  0.2675  1
]