data_[Li8Fe4O4F12]
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 [9.9603]
_cell_length_b [2.9803]
_cell_length_c [10.4533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2FeOF3]
_chemical_formula_sum '[Li8 Fe4 O4 F12]'
_cell_volume [303.1162]
_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  0.2251  0.5000  0.3876  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe3  4  0.2273  0.5000  0.8717  1.0
  O  O4  4  0.1380  0.0000  0.9442  1.0
  F  F5  4  0.1298  0.0000  0.4505  1.0
  F  F6  4  0.1401  0.5000  0.1708  1.0
  F  F7  4  0.1505  0.5000  0.6879  1.0
]