data_[Ba4Pb8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.4153]
_cell_length_b [10.8895]
_cell_length_c [12.2039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [BaPb2F11]
_chemical_formula_sum '[Ba4 Pb8 F44]'
_cell_volume [1118.3473]
_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
[
  Ba  Ba0  4  0.0000  0.5000  0.2500  1
  Pb  Pb1  8  0.1695  0.2018  0.5000  1
  F  F2  16  0.1169  0.6755  0.1242  1
  F  F3  16  0.2325  0.4085  0.1198  1
  F  F4  8  0.0942  0.8132  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]