data_[B4P4]
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 [P3]
_cell_length_a [16.9466]
_cell_length_b [16.9466]
_cell_length_c [4.7582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [BP]
_chemical_formula_sum '[B4 P4]'
_cell_volume [1183.4085]
_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  3  0.0249  0.9349  0.1494  1
  B  B1  1  0.0000  0.0000  0.8322  1
  P  P2  3  0.1284  0.0355  0.9540  1
  P  P3  1  0.0000  0.0000  0.4359  1
]