data_[Ba4Nb8Xe20F88]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nb  1.6000  1.4500  0.8200
  Xe  2.6000  2.16  0.6200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [12.4630]
_cell_length_b [14.1320]
_cell_length_c [14.3903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [BaNb2Xe5F22]
_chemical_formula_sum '[Ba4 Nb8 Xe20 F88]'
_cell_volume [2534.5313]
_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  0.0000  0.5000  1
  Nb  Nb1  8  0.2500  0.0000  0.2500  1
  Xe  Xe2  8  0.0000  0.2500  0.2500  1
  Xe  Xe3  8  0.2500  0.2500  0.0000  1
  Xe  Xe4  4  0.0000  0.0000  0.0000  1
  F  F5  32  0.1836  0.0969  0.1742  1
  F  F6  16  0.0000  0.1800  0.3767  1
  F  F7  16  0.1238  0.0000  0.3310  1
  F  F8  16  0.1864  0.1142  0.5000  1
  F  F9  8  0.0000  0.1463  0.0000  1
]