data_[B20Pb8Br4O36]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnn2]
_cell_length_a [11.4014]
_cell_length_b [11.4751]
_cell_length_c [6.5434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [34]
_chemical_formula_structural [B5Pb2BrO9]
_chemical_formula_sum '[B20 Pb8 Br4 O36]'
_cell_volume [856.0845]
_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  0.0031  0.7522  0.8559  1
  B  B1  4  0.1772  0.7706  0.6305  1
  B  B2  4  0.2004  0.6819  0.9821  1
  B  B3  4  0.2183  0.2882  0.7977  1
  B  B4  4  0.2318  0.4589  0.0215  1
  Pb  Pb5  4  0.0448  0.2571  0.3322  1
  Pb  Pb6  4  0.2344  0.0250  0.9962  1
  Br  Br7  2  0.0000  0.0000  0.2394  1
  Br  Br8  2  0.0000  0.5000  0.4854  1
  O  O9  4  0.0498  0.7857  0.6724  1
  O  O10  4  0.0726  0.7082  0.0084  1
  O  O11  4  0.1136  0.2318  0.8960  1
  O  O12  4  0.1824  0.7394  0.4137  1
  O  O13  4  0.2098  0.4180  0.8286  1
  O  O14  4  0.2258  0.5715  0.0824  1
  O  O15  4  0.2273  0.6785  0.7610  1
  O  O16  4  0.2274  0.2727  0.5788  1
  O  O17  4  0.2384  0.8810  0.6746  1
]