data_[Li18Fe4O16]
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
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1900]
_cell_length_b [9.1324]
_cell_length_c [4.6946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li9(FeO4)2]
_chemical_formula_sum '[Li18 Fe4 O16]'
_cell_volume [393.9921]
_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  4  0.2098  0.7458  0.0041  1.0
  Li  Li1  4  0.2301  0.4972  0.0729  1.0
  Li  Li2  4  0.2483  0.0001  0.4381  1.0
  Li  Li3  2  0.0000  0.0494  0.5000  1.0
  Li  Li4  2  0.0000  0.4656  0.5000  1.0
  Li  Li5  2  0.0000  0.9684  0.0000  1.0
  Fe  Fe6  2  0.0000  0.2533  0.0000  1.0
  Fe  Fe7  2  0.0000  0.7506  0.5000  1.0
  O  O8  4  0.1183  0.8885  0.7117  1.0
  O  O9  4  0.1246  0.6193  0.3134  1.0
  O  O10  4  0.1283  0.1180  0.1720  1.0
  O  O11  4  0.1285  0.3703  0.8107  1.0
]