data_[Li12F10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.0312]
_cell_length_b [8.7027]
_cell_length_c [5.0298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6F5]
_chemical_formula_sum '[Li12 F10]'
_cell_volume [207.4782]
_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  8  0.2445  0.3287  0.7482  1.0
  Li  Li1  4  0.2427  0.5000  0.2579  1.0
  F  F2  4  0.0000  0.1680  0.5000  1.0
  F  F3  4  0.0000  0.3332  0.0000  1.0
  F  F4  2  0.0000  0.5000  0.5000  1.0
]