data_[Li2Ti2Fe2O8]
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 [Imm2]
_cell_length_a [3.9141]
_cell_length_b [4.0375]
_cell_length_c [9.2983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiTiFeO4]
_chemical_formula_sum '[Li2 Ti2 Fe2 O8]'
_cell_volume [146.9392]
_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  0.1923  1.0
  Ti  Ti1  2  0.0000  0.5000  0.7508  1.0
  Fe  Fe2  2  0.0000  0.0000  0.9906  1.0
  O  O3  2  0.0000  0.0000  0.2183  1.0
  O  O4  2  0.0000  0.0000  0.7719  1.0
  O  O5  2  0.0000  0.5000  0.5435  1.0
  O  O6  2  0.0000  0.5000  0.9613  1.0
]