data_[Li8Fe4O8F4]
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 [C2/m]
_cell_length_a [5.0640]
_cell_length_b [9.0423]
_cell_length_c [5.0745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2FeO2F]
_chemical_formula_sum '[Li8 Fe4 O8 F4]'
_cell_volume [222.8316]
_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  4  0.0000  0.3181  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Fe  Fe3  4  0.0000  0.1837  0.5000  1
  O  O4  8  0.2387  0.1732  0.2676  1
  F  F5  4  0.2375  0.0000  0.7418  1
]