data_[B12Pb6O22F4]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.6883]
_cell_length_b [8.4552]
_cell_length_c [10.1498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [B6Pb3O11F2]
_chemical_formula_sum '[B12 Pb6 O22 F4]'
_cell_volume [558.4162]
_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  0.0005  0.5222  0.9513  1
  B  B1  2  0.0754  0.9605  0.3799  1
  B  B2  2  0.0834  0.2085  0.6687  1
  B  B3  2  0.0957  0.7419  0.1280  1
  B  B4  2  0.2906  0.4580  0.7105  1
  B  B5  2  0.3177  0.9829  0.2267  1
  Pb  Pb6  2  0.0701  0.3552  0.2722  1
  Pb  Pb7  2  0.4619  0.6853  0.4628  1
  Pb  Pb8  2  0.4660  0.1996  0.9663  1
  O  O9  2  0.0006  0.1498  0.7784  1
  O  O10  2  0.0520  0.3656  0.9410  1
  O  O11  2  0.0648  0.8077  0.4267  1
  O  O12  2  0.1076  0.5434  0.6713  1
  O  O13  2  0.1427  0.6225  0.0308  1
  O  O14  2  0.1876  0.0812  0.1190  1
  O  O15  2  0.2563  0.0215  0.3590  1
  O  O16  2  0.2810  0.2946  0.7161  1
  O  O17  2  0.2945  0.8143  0.1949  1
  O  O18  2  0.3473  0.3989  0.4220  1
  O  O19  2  0.4685  0.5398  0.7534  1
  F  F20  2  0.1345  0.0696  0.5977  1
  F  F21  2  0.4119  0.9287  0.9023  1
]