# generated using pymatgen
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96803843
_cell_length_b   5.99073021
_cell_length_c   8.48845994
_cell_angle_alpha   89.99962544
_cell_angle_beta   89.99987608
_cell_angle_gamma   90.38635198
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiFeO4
_chemical_formula_sum   'Li4 Ti4 Fe4 O16'
_cell_volume   303.48022862
_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  0.25000000  0.25000000  1
  Li  Li1  1  0.75000000  0.75000000  0.75000000  1
  Li  Li2  1  0.75000000  0.24999900  0.75000000  1
  Li  Li3  1  0.25000000  0.75000000  0.25000000  1
  Ti  Ti4  1  0.49999900  0.00000200  0.00000000  1
  Ti  Ti5  1  0.00000000  0.49999900  0.50000000  1
  Ti  Ti6  1  0.00000100  0.00000200  0.99999900  1
  Ti  Ti7  1  0.50000000  0.49999800  0.50000000  1
  Fe  Fe8  1  0.25000400  0.75000100  0.75000000  1
  Fe  Fe9  1  0.75000000  0.75000100  0.24999700  1
  Fe  Fe10  1  0.75000000  0.25000100  0.25000100  1
  Fe  Fe11  1  0.24999700  0.25000300  0.75000100  1
  O  O12  1  0.98379900  0.50109800  0.26814600  1
  O  O13  1  0.48379900  0.00110300  0.76814600  1
  O  O14  1  0.51620300  0.49889500  0.26814600  1
  O  O15  1  0.01620300  0.99889900  0.76814600  1
  O  O16  1  0.48379700  0.50110000  0.73185400  1
  O  O17  1  0.98379700  0.00110500  0.23185400  1
  O  O18  1  0.01620100  0.49889700  0.73185400  1
  O  O19  1  0.51620100  0.99890100  0.23185400  1
  O  O20  1  0.74851400  0.78272200  0.00538300  1
  O  O21  1  0.24851400  0.28272200  0.50538500  1
  O  O22  1  0.75148600  0.21727400  0.00538200  1
  O  O23  1  0.25148600  0.71727300  0.50538000  1
  O  O24  1  0.24851400  0.78272600  0.99462000  1
  O  O25  1  0.74851400  0.28272400  0.49461900  1
  O  O26  1  0.25148600  0.21727700  0.99461500  1
  O  O27  1  0.75148600  0.71727600  0.49461700  1
