data_[Li4Fe8O8F12]
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/c]
_cell_length_a [10.8225]
_cell_length_b [5.0884]
_cell_length_c [7.1004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiFe2O2F3]
_chemical_formula_sum '[Li4 Fe8 O8 F12]'
_cell_volume [363.5963]
_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  0.5000  0.0000  1.0
  Fe  Fe1  8  0.1913  0.0215  0.8697  1.0
  O  O2  8  0.1987  0.1744  0.1345  1.0
  F  F3  8  0.1284  0.3185  0.4534  1.0
  F  F4  4  0.0000  0.1703  0.7500  1.0
]