data_[Na6Li8F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7939]
_cell_length_b [8.8160]
_cell_length_c [6.1380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.2094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Li4F8]
_chemical_formula_sum '[Na6 Li8 F16]'
_cell_volume [341.0983]
_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
[
  Na  Na0  4  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Li  Li2  4  0.2500  0.2500  0.5000  1.0
  Li  Li3  2  0.0000  0.0000  0.0000  1.0
  Li  Li4  2  0.0000  0.0000  0.5000  1.0
  F  F5  4  0.0000  0.2313  0.0000  1.0
  F  F6  4  0.0000  0.2424  0.5000  1.0
  F  F7  4  0.2132  0.0000  0.9720  1.0
  F  F8  4  0.2248  0.0000  0.4720  1.0
]