data_[Li20Fe4O12F4]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [6.6653]
_cell_length_b [8.0013]
_cell_length_c [7.3860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Li5FeO3F]
_chemical_formula_sum '[Li20 Fe4 O12 F4]'
_cell_volume [393.9081]
_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  8  0.0215  0.3534  0.2415  1.0
  Li  Li1  4  0.0000  0.0000  0.1689  1.0
  Li  Li2  4  0.2500  0.0688  0.9444  1.0
  Li  Li3  4  0.2500  0.3556  0.9894  1.0
  Fe  Fe4  4  0.2500  0.2006  0.5053  1.0
  O  O5  8  0.0156  0.2017  0.0072  1.0
  O  O6  4  0.2500  0.0076  0.6978  1.0
  F  F7  4  0.2500  0.0018  0.2895  1.0
]