data_[Li2Fe16O24F8]
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]
_cell_length_a [14.6801]
_cell_length_b [5.9750]
_cell_length_c [6.4445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiFe8(O3F)4]
_chemical_formula_sum '[Li2 Fe16 O24 F8]'
_cell_volume [565.2688]
_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  2  0.0000  0.2812  0.0000  1
  Fe  Fe1  4  0.0976  0.6258  0.2498  1
  Fe  Fe2  4  0.1205  0.8777  0.7525  1
  Fe  Fe3  4  0.1310  0.3744  0.7400  1
  Fe  Fe4  4  0.1380  0.1214  0.2572  1
  O  O5  4  0.0383  0.6167  0.7545  1
  O  O6  4  0.1208  0.3707  0.0551  1
  O  O7  4  0.1210  0.8767  0.0590  1
  O  O8  4  0.1221  0.8703  0.4457  1
  O  O9  4  0.1255  0.3784  0.4399  1
  O  O10  4  0.2028  0.1203  0.7470  1
  F  F11  4  0.0212  0.1294  0.7517  1
  F  F12  4  0.2239  0.6280  0.7534  1
]