data_[B48P6]
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 [Cm]
_cell_length_a [8.6788]
_cell_length_b [5.9197]
_cell_length_c [10.2049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [B8P]
_chemical_formula_sum '[B48 P6]'
_cell_volume [482.5264]
_cell_formula_units_Z [6]
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  4  0.0411  0.2353  0.0962  1
  B  B1  4  0.0424  0.2643  0.5891  1
  B  B2  4  0.1730  0.1574  0.0077  1
  B  B3  4  0.1757  0.3421  0.5030  1
  B  B4  4  0.3237  0.3431  0.0012  1
  B  B5  4  0.3260  0.1617  0.4880  1
  B  B6  4  0.4554  0.2658  0.9105  1
  B  B7  4  0.4628  0.2351  0.4046  1
  B  B8  2  0.0401  0.0000  0.8598  1
  B  B9  2  0.0437  0.5000  0.3533  1
  B  B10  2  0.1738  0.0000  0.1634  1
  B  B11  2  0.1746  0.5000  0.6636  1
  B  B12  2  0.3229  0.5000  0.8395  1
  B  B13  2  0.3268  0.0000  0.3320  1
  B  B14  2  0.4555  0.0000  0.6386  1
  B  B15  2  0.4622  0.5000  0.1493  1
  P  P16  2  0.1075  0.0000  0.7033  1
  P  P17  2  0.1122  0.5000  0.2025  1
  P  P18  2  0.3892  0.0000  0.7970  1
]