data_[B8P8O28]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.2559]
_cell_length_b [7.1543]
_cell_length_c [13.6612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [B2P2O7]
_chemical_formula_sum '[B8 P8 O28]'
_cell_volume [611.4135]
_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  4  0.0702  0.4851  0.1230  1
  B  B1  4  0.1258  0.5605  0.3098  1
  P  P2  4  0.1657  0.7736  0.5834  1
  P  P3  4  0.2135  0.1199  0.0326  1
  O  O4  4  0.0032  0.7188  0.3273  1
  O  O5  4  0.1346  0.4810  0.2195  1
  O  O6  4  0.1464  0.3045  0.0748  1
  O  O7  4  0.1662  0.6423  0.0648  1
  O  O8  4  0.1689  0.4983  0.8919  1
  O  O9  4  0.2497  0.4827  0.3837  1
  O  O10  2  0.0000  0.0093  0.0000  1
  O  O11  2  0.0000  0.8576  0.5000  1
]