data_[Ba1Li2Nb1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8115]
_cell_length_b [7.7211]
_cell_length_c [5.0948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaLi2NbF8]
_chemical_formula_sum '[Ba1 Li2 Nb1 F8]'
_cell_volume [184.2483]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  2  0.5000  0.3091  0.5000  1.0
  Nb  Nb2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.2150  0.2037  0.2275  1.0
  F  F4  2  0.2613  0.0000  0.7660  1.0
  F  F5  2  0.3592  0.5000  0.6840  1.0
]