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/m]
_cell_length_a [10.0470]
_cell_length_b [3.8486]
_cell_length_c [10.2152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiFe2O2F3]
_chemical_formula_sum '[Li4 Fe8 O8 F12]'
_cell_volume [394.9465]
_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  0.1312  0.0000  0.0574  1.0
  Fe  Fe1  4  0.1375  0.0000  0.4524  1.0
  Fe  Fe2  4  0.1849  0.0000  0.7493  1.0
  O  O3  4  0.0435  0.0000  0.6198  1.0
  O  O4  4  0.1959  0.5000  0.4185  1.0
  F  F5  4  0.0514  0.0000  0.8827  1.0
  F  F6  4  0.1906  0.5000  0.0960  1.0
  F  F7  4  0.2412  0.5000  0.7457  1.0
]