data_[Li16Fe4O12]
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 [Cc]
_cell_length_a [10.0755]
_cell_length_b [5.1070]
_cell_length_c [6.8971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li4FeO3]
_chemical_formula_sum '[Li16 Fe4 O12]'
_cell_volume [331.5292]
_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  0.1335  0.1506  0.4714  1.0
  Li  Li1  4  0.2005  0.2814  0.1629  1.0
  Li  Li2  4  0.2759  0.1538  0.8582  1.0
  Li  Li3  4  0.3834  0.3502  0.5681  1.0
  Fe  Fe4  4  0.0175  0.3588  0.7498  1.0
  O  O5  4  0.0647  0.0089  0.6914  1.0
  O  O6  4  0.2020  0.4983  0.4102  1.0
  O  O7  4  0.3328  0.0069  0.6381  1.0
]