data_[Li8Fe2O4F4]
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 [9.9464]
_cell_length_b [3.6423]
_cell_length_c [6.5447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Fe(OF)2]
_chemical_formula_sum '[Li8 Fe2 O4 F4]'
_cell_volume [188.2670]
_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  4  0.1402  0.0000  0.0292  1.0
  Li  Li1  4  0.1655  0.5000  0.3510  1.0
  Fe  Fe2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0879  0.0000  0.3087  1.0
  F  F4  4  0.2440  0.5000  0.1482  1.0
]