data_[Li8Fe8O8F16]
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 [9.8296]
_cell_length_b [8.9665]
_cell_length_c [5.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiFeOF2]
_chemical_formula_sum '[Li8 Fe8 O8 F16]'
_cell_volume [459.8890]
_cell_formula_units_Z [8]
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  0.1914  0.4114  0.3228  1.0
  Fe  Fe1  4  0.0000  0.0729  0.2500  1.0
  Fe  Fe2  4  0.0000  0.2578  0.7500  1.0
  O  O3  8  0.1041  0.0919  0.6088  1.0
  F  F4  8  0.1102  0.2498  0.1099  1.0
  F  F5  8  0.1236  0.4110  0.6444  1.0
]