data_[Li8Fe2O2F8]
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 [I4/m]
_cell_length_a [6.8034]
_cell_length_b [6.8034]
_cell_length_c [3.9989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Li4FeOF4]
_chemical_formula_sum '[Li8 Fe2 O2 F8]'
_cell_volume [185.0953]
_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  8  0.0906  0.2919  0.0000  1
  Fe  Fe1  2  0.0000  0.0000  0.5000  1
  O  O2  2  0.0000  0.0000  0.0000  1
  F  F3  8  0.1027  0.3093  0.5000  1
]