data_[B2Pb12I2O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8344]
_cell_length_b [9.8052]
_cell_length_c [10.6378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [BPb6IO7]
_chemical_formula_sum '[B2 Pb12 I2 O14]'
_cell_volume [608.5619]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.4153  1
  Pb  Pb1  4  0.0000  0.2025  0.1585  1
  Pb  Pb2  4  0.0000  0.2334  0.6194  1
  Pb  Pb3  2  0.0000  0.0000  0.8770  1
  Pb  Pb4  2  0.0000  0.5000  0.3561  1
  I  I5  2  0.0000  0.5000  0.8799  1
  O  O6  8  0.2494  0.1446  0.7607  1
  O  O7  4  0.0000  0.1261  0.3585  1
  O  O8  2  0.0000  0.0000  0.5478  1
]