data_[Li4H8F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.4479]
_cell_length_b [6.1842]
_cell_length_c [6.4924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiH2F4]
_chemical_formula_sum '[Li4 H8 F16]'
_cell_volume [273.0522]
_cell_formula_units_Z [4]
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  2  0.0000  0.7478  0.0000  1.0
  Li  Li1  2  0.0000  0.9892  0.5000  1.0
  H  H2  4  0.1283  0.3561  0.7594  1.0
  H  H3  4  0.1741  0.1108  0.2688  1.0
  F  F4  4  0.0382  0.5441  0.7766  1.0
  F  F5  4  0.0760  0.0115  0.2596  1.0
  F  F6  4  0.1939  0.2325  0.7395  1.0
  F  F7  4  0.1995  0.7518  0.7381  1.0
]