data_[Li8F40]
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 [7.5592]
_cell_length_b [12.0273]
_cell_length_c [5.0734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiF5]
_chemical_formula_sum '[Li8 F40]'
_cell_volume [453.3298]
_cell_formula_units_Z [8]
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  0.0000  0.2444  0.0000  1
  Li  Li1  4  0.2459  0.0000  0.1938  1
  F  F2  8  0.0843  0.1982  0.5974  1
  F  F3  8  0.0941  0.3923  0.5936  1
  F  F4  8  0.1560  0.1373  0.1645  1
  F  F5  8  0.1656  0.3572  0.1485  1
  F  F6  4  0.0886  0.0000  0.5818  1
  F  F7  4  0.1557  0.5000  0.1437  1
]