data_[Li8Fe1O5F1]
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 [P1]
_cell_length_a [5.3617]
_cell_length_b [5.4089]
_cell_length_c [5.8796]
_cell_angle_alpha [91.0637]
_cell_angle_beta [115.2345]
_cell_angle_gamma [116.5547]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li8FeO5F]
_chemical_formula_sum '[Li8 Fe1 O5 F1]'
_cell_volume [133.2801]
_cell_formula_units_Z [1]
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  1  0.1274  0.2318  0.6576  1.0
  Li  Li1  1  0.2492  0.4767  0.3596  1.0
  Li  Li2  1  0.2933  0.6719  0.9671  1.0
  Li  Li3  1  0.4014  0.8958  0.6376  1.0
  Li  Li4  1  0.5807  0.0938  0.3465  1.0
  Li  Li5  1  0.7328  0.3561  0.0218  1.0
  Li  Li6  1  0.7544  0.5131  0.6466  1.0
  Li  Li7  1  0.8984  0.7941  0.3679  1.0
  Fe  Fe8  1  0.9322  0.9490  0.9678  1.0
  O  O9  1  0.1214  0.8936  0.7538  1.0
  O  O10  1  0.1613  0.7676  0.2334  1.0
  O  O11  1  0.5093  0.6002  0.7635  1.0
  O  O12  1  0.8273  0.2206  0.7588  1.0
  O  O13  1  0.8750  0.1073  0.2441  1.0
  F  F14  1  0.5359  0.4285  0.2739  1.0
]