data_[Li2Fe6O8]
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/m]
_cell_length_a [8.6889]
_cell_length_b [6.1489]
_cell_length_c [3.0472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiFe3O4]
_chemical_formula_sum '[Li2 Fe6 O8]'
_cell_volume [162.8032]
_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  0.5000  0.5000  1.0
  Fe  Fe1  4  0.2500  0.2500  0.0000  1.0
  Fe  Fe2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0000  0.2313  0.0000  1.0
  O  O4  4  0.2379  0.0000  0.5193  1.0
]