# generated using pymatgen
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99014700
_cell_length_b   5.99014700
_cell_length_c   8.33597400
_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   299.11026105
_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  0.00000000  0.22696800  0.00000000  1
  Li  Li1  1  0.00000000  0.77303200  0.50000000  1
  Li  Li2  1  0.22696800  0.00000000  0.25000000  1
  Li  Li3  1  0.77303200  0.00000000  0.75000000  1
  Ti  Ti4  1  0.22081000  0.50000000  0.25000000  1
  Ti  Ti5  1  0.50000000  0.22081000  0.00000000  1
  Ti  Ti6  1  0.50000000  0.77919000  0.50000000  1
  Ti  Ti7  1  0.77919000  0.50000000  0.75000000  1
  Fe  Fe8  1  0.25860500  0.25860500  0.62500000  1
  Fe  Fe9  1  0.25860500  0.74139500  0.87500000  1
  Fe  Fe10  1  0.74139500  0.25860500  0.37500000  1
  Fe  Fe11  1  0.74139500  0.74139500  0.12500000  1
  O  O12  1  0.01330200  0.26612500  0.25693100  1
  O  O13  1  0.01330200  0.73387500  0.24306900  1
  O  O14  1  0.26612500  0.01330200  0.99306900  1
  O  O15  1  0.26612500  0.98669800  0.50693100  1
  O  O16  1  0.26469400  0.48512100  0.01465100  1
  O  O17  1  0.26469400  0.51487900  0.48534900  1
  O  O18  1  0.48512100  0.26469400  0.23534900  1
  O  O19  1  0.48512100  0.73530600  0.26465100  1
  O  O20  1  0.51487900  0.26469400  0.76465100  1
  O  O21  1  0.51487900  0.73530600  0.73534900  1
  O  O22  1  0.73530600  0.51487900  0.51465100  1
  O  O23  1  0.73530600  0.48512100  0.98534900  1
  O  O24  1  0.73387500  0.01330200  0.00693100  1
  O  O25  1  0.73387500  0.98669800  0.49306900  1
  O  O26  1  0.98669800  0.26612500  0.74306900  1
  O  O27  1  0.98669800  0.73387500  0.75693100  1
