data_[Li2Ti1Fe1O4]
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 [P1]
_cell_length_a [4.0110]
_cell_length_b [4.3132]
_cell_length_c [5.3486]
_cell_angle_alpha [113.5628]
_cell_angle_beta [111.9726]
_cell_angle_gamma [90.1525]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2TiFeO4]
_chemical_formula_sum '[Li2 Ti1 Fe1 O4]'
_cell_volume [77.3846]
_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  0.0343  0.0552  0.0728  1
  Li  Li1  1  0.7503  0.2432  0.4975  1
  Ti  Ti2  1  0.4766  0.5367  0.9787  1
  Fe  Fe3  1  0.2551  0.7454  0.5057  1
  O  O4  1  0.2779  0.2627  0.5490  1
  O  O5  1  0.4957  0.9723  0.9925  1
  O  O6  1  0.7106  0.6908  0.4137  1
  O  O7  1  0.9995  0.4937  0.9901  1
]