data_[Ba2Li2Nb4O12F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9021]
_cell_length_b [3.9021]
_cell_length_c [21.3198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [BaLiNb2O6F]
_chemical_formula_sum '[Ba2 Li2 Nb4 O12 F2]'
_cell_volume [324.6222]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Li  Li1  2  0.0000  0.5000  0.7500  1.0
  Nb  Nb2  4  0.0000  0.0000  0.3762  1.0
  O  O3  4  0.0000  0.0000  0.2919  1.0
  O  O4  4  0.0000  0.5000  0.0988  1.0
  O  O5  4  0.0000  0.5000  0.6008  1.0
  F  F6  2  0.0000  0.0000  0.5000  1.0
]