data_[B2Pb2I2O12]
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 [C2]
_cell_length_a [4.6941]
_cell_length_b [8.9970]
_cell_length_c [5.5437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BPbIO6]
_chemical_formula_sum '[B2 Pb2 I2 O12]'
_cell_volume [233.2041]
_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  0.6139  0.0000  1.0
  Pb  Pb1  2  0.0000  0.0275  0.5000  1.0
  I  I2  2  0.0000  0.3266  0.0000  1.0
  O  O3  4  0.1604  0.5059  0.8540  1.0
  O  O4  4  0.2222  0.6997  0.1509  1.0
  O  O5  4  0.2285  0.3105  0.2863  1.0
]