data_[Ba16Sb8F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.7176]
_cell_length_b [15.7425]
_cell_length_c [9.8744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba2SbF]
_chemical_formula_sum '[Ba16 Sb8 F8]'
_cell_volume [1199.6896]
_cell_formula_units_Z [8]
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  8  0.0000  0.1138  0.1176  1
  Ba  Ba1  8  0.2500  0.1588  0.7500  1
  Sb  Sb2  8  0.0000  0.1817  0.4432  1
  F  F3  8  0.0000  0.0571  0.8574  1
]