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 [4.0057]
_cell_length_b [4.3125]
_cell_length_c [5.3452]
_cell_angle_alpha [113.5821]
_cell_angle_beta [111.9616]
_cell_angle_gamma [90.1514]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2TiFeO4]
_chemical_formula_sum '[Li2 Ti1 Fe1 O4]'
_cell_volume [77.2146]
_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  0.0347  0.0556  0.0733  1.0
  Li  Li1  1  0.7500  0.2434  0.4973  1.0
  Ti  Ti2  1  0.4768  0.5367  0.9788  1.0
  Fe  Fe3  1  0.2550  0.7457  0.5056  1.0
  O  O4  1  0.2778  0.2626  0.5488  1.0
  O  O5  1  0.4958  0.9721  0.9927  1.0
  O  O6  1  0.7105  0.6904  0.4135  1.0
  O  O7  1  0.9994  0.4935  0.9900  1.0
]