data_[Li3Ti2Fe2O8]
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 [P-1]
_cell_length_a [5.9392]
_cell_length_b [5.9887]
_cell_length_c [6.0291]
_cell_angle_alpha [60.4868]
_cell_angle_beta [89.6855]
_cell_angle_gamma [60.3281]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Ti2(FeO4)2]
_chemical_formula_sum '[Li3 Ti2 Fe2 O8]'
_cell_volume [153.8789]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  Li  Li2  1  0.5000  0.5000  0.5000  1.0
  Ti  Ti3  1  0.0000  0.0000  0.0000  1.0
  Ti  Ti4  1  0.5000  0.0000  0.0000  1.0
  Fe  Fe5  1  0.0000  0.5000  0.0000  1.0
  Fe  Fe6  1  0.0000  0.5000  0.5000  1.0
  O  O7  2  0.2253  0.5348  0.2195  1.0
  O  O8  2  0.2467  0.0089  0.2210  1.0
  O  O9  2  0.2571  0.9941  0.7858  1.0
  O  O10  2  0.2590  0.4553  0.7780  1.0
]