data_[Li8Fe8O4F16]
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 [Cmc2_1]
_cell_length_a [3.0312]
_cell_length_b [9.9383]
_cell_length_c [12.6611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li2Fe2OF4]
_chemical_formula_sum '[Li8 Fe8 O4 F16]'
_cell_volume [381.4193]
_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  0.0000  0.0048  0.4947  1.0
  Li  Li1  4  0.0000  0.2713  0.3855  1.0
  Fe  Fe2  4  0.0000  0.2586  0.1142  1.0
  Fe  Fe3  4  0.0000  0.4603  0.7619  1.0
  O  O4  4  0.0000  0.1675  0.2500  1.0
  F  F5  4  0.0000  0.0803  0.8527  1.0
  F  F6  4  0.0000  0.0873  0.6423  1.0
  F  F7  4  0.0000  0.3522  0.9646  1.0
  F  F8  4  0.0000  0.3656  0.5341  1.0
]