data_[B4H4Pb8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2737]
_cell_length_b [5.8386]
_cell_length_c [7.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BH(PbO2)2]
_chemical_formula_sum '[B4 H4 Pb8 O16]'
_cell_volume [527.5759]
_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  0.1682  0.5000  0.6626  1.0
  H  H1  4  0.0429  0.5000  0.3883  1.0
  Pb  Pb2  4  0.0648  0.0000  0.2631  1.0
  Pb  Pb3  4  0.1518  0.5000  0.0633  1.0
  O  O4  4  0.0000  0.2532  0.0000  1.0
  O  O5  4  0.0891  0.5000  0.7323  1.0
  O  O6  4  0.1295  0.5000  0.4576  1.0
  O  O7  4  0.2181  0.0000  0.2095  1.0
]