data_[Li16N4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3759]
_cell_length_b [3.2352]
_cell_length_c [5.6608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8N2F]
_chemical_formula_sum '[Li16 N4 F2]'
_cell_volume [244.0195]
_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
[
  Li  Li0  4  0.0448  0.0000  0.8210  1
  Li  Li1  4  0.1190  0.5000  0.5681  1
  Li  Li2  4  0.1889  0.5000  0.9728  1
  Li  Li3  4  0.2200  0.0000  0.3589  1
  N  N4  4  0.1924  0.0000  0.7317  1
  F  F5  2  0.0000  0.5000  0.0000  1
]