data_[Li2Fe2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1065]
_cell_length_b [5.8072]
_cell_length_c [6.1412]
_cell_angle_alpha [62.6010]
_cell_angle_beta [68.0912]
_cell_angle_gamma [89.9149]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiFeF4]
_chemical_formula_sum '[Li2 Fe2 F8]'
_cell_volume [146.7678]
_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  1  0.0703  0.6338  0.4123  1.0
  Li  Li1  1  0.4313  0.0368  0.5843  1.0
  Fe  Fe2  1  0.2492  0.3122  0.0003  1.0
  Fe  Fe3  1  0.7489  0.6486  0.0014  1.0
  F  F4  1  0.0013  0.9834  0.2555  1.0
  F  F5  1  0.0156  0.4814  0.7899  1.0
  F  F6  1  0.0195  0.9635  0.7531  1.0
  F  F7  1  0.4803  0.7254  0.2490  1.0
  F  F8  1  0.4818  0.2763  0.2116  1.0
  F  F9  1  0.4952  0.2299  0.7460  1.0
  F  F10  1  0.5174  0.6883  0.7890  1.0
  F  F11  1  0.9821  0.4831  0.2120  1.0
]