data_[Li2Fe4O4F6]
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 [Pmc2_1]
_cell_length_a [3.1665]
_cell_length_b [8.1489]
_cell_length_c [8.2961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LiFe2O2F3]
_chemical_formula_sum '[Li2 Fe4 O4 F6]'
_cell_volume [214.0650]
_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  2  0.0000  0.3978  0.1721  1.0
  Fe  Fe1  2  0.0000  0.1028  0.8308  1.0
  Fe  Fe2  2  0.5000  0.2411  0.4904  1.0
  O  O3  2  0.0000  0.1127  0.4166  1.0
  O  O4  2  0.5000  0.1398  0.7110  1.0
  F  F5  2  0.0000  0.2429  0.0079  1.0
  F  F6  2  0.0000  0.3879  0.5738  1.0
  F  F7  2  0.5000  0.3797  0.2975  1.0
]