data_[B5P5]
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 [17.0681]
_cell_length_b [5.6295]
_cell_length_c [17.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [BP]
_chemical_formula_sum '[B5 P5]'
_cell_volume [1420.2693]
_cell_formula_units_Z [5]
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  0.0262  0.5754  0.4453  1
  B  B1  2  0.0782  0.5754  0.5618  1
  B  B2  1  0.0000  0.3574  0.5000  1
  P  P3  2  0.0624  0.8014  0.6395  1
  P  P4  2  0.1251  0.8012  0.5085  1
  P  P5  1  0.0000  0.0160  0.5000  1
]