# generated using pymatgen
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94836900
_cell_length_b   8.99922500
_cell_length_c   10.78537700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiFeO4
_chemical_formula_sum   'Li4 Ti4 Fe4 O16'
_cell_volume   286.16879637
_cell_formula_units_Z   4
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  0.25000000  0.24563000  0.63306100  1
  Li  Li1  1  0.25000000  0.74563000  0.86693900  1
  Li  Li2  1  0.75000000  0.75437000  0.36693900  1
  Li  Li3  1  0.75000000  0.25437000  0.13306100  1
  Ti  Ti4  1  0.25000000  0.08611300  0.39293200  1
  Ti  Ti5  1  0.25000000  0.58611300  0.10706800  1
  Ti  Ti6  1  0.75000000  0.91388700  0.60706800  1
  Ti  Ti7  1  0.75000000  0.41388700  0.89293200  1
  Fe  Fe8  1  0.25000000  0.06170000  0.88904500  1
  Fe  Fe9  1  0.25000000  0.56170000  0.61095500  1
  Fe  Fe10  1  0.75000000  0.93830000  0.11095500  1
  Fe  Fe11  1  0.75000000  0.43830000  0.38904500  1
  O  O12  1  0.25000000  0.28815600  0.34539700  1
  O  O13  1  0.25000000  0.78815600  0.15460300  1
  O  O14  1  0.75000000  0.71184400  0.65460300  1
  O  O15  1  0.75000000  0.21184400  0.84539700  1
  O  O16  1  0.25000000  0.38148700  0.01741400  1
  O  O17  1  0.25000000  0.88148700  0.48258600  1
  O  O18  1  0.75000000  0.61851300  0.98258600  1
  O  O19  1  0.75000000  0.11851300  0.51741400  1
  O  O20  1  0.25000000  0.48479500  0.79130500  1
  O  O21  1  0.25000000  0.98479500  0.70869500  1
  O  O22  1  0.75000000  0.51520500  0.20869500  1
  O  O23  1  0.75000000  0.01520500  0.29130500  1
  O  O24  1  0.25000000  0.08725800  0.07655500  1
  O  O25  1  0.25000000  0.58725800  0.42344500  1
  O  O26  1  0.75000000  0.91274200  0.92344500  1
  O  O27  1  0.75000000  0.41274200  0.57655500  1
