data_[Li4Ti2Fe2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2/mmc]
_cell_length_a [4.0813]
_cell_length_b [4.0813]
_cell_length_c [8.7358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [131]
_chemical_formula_structural [Li2TiFeO4]
_chemical_formula_sum '[Li4 Ti2 Fe2 O8]'
_cell_volume [145.5129]
_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  0.0000  1.0
  Li  Li1  2  0.5000  0.5000  0.2500  1.0
  Ti  Ti2  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe3  2  0.0000  0.0000  0.2500  1.0
  O  O4  4  0.0000  0.5000  0.2722  1.0
  O  O5  2  0.0000  0.0000  0.0000  1.0
  O  O6  2  0.5000  0.5000  0.0000  1.0
]