# generated using pymatgen
data_Li2TiFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93510997
_cell_length_b   5.93510997
_cell_length_c   9.58573600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiFe3O8
_chemical_formula_sum   'Li4 Ti2 Fe6 O16'
_cell_volume   292.42442035
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.89564500  1
  Li  Li1  1  0.00000000  0.00000000  0.99463100  1
  Li  Li2  1  0.00000000  0.00000000  0.49463100  1
  Li  Li3  1  0.66666700  0.33333300  0.39564500  1
  Ti  Ti4  1  0.33333300  0.66666700  0.49480000  1
  Ti  Ti5  1  0.66666700  0.33333300  0.99480000  1
  Fe  Fe6  1  0.17088400  0.82911600  0.21515800  1
  Fe  Fe7  1  0.17088400  0.34176800  0.21515800  1
  Fe  Fe8  1  0.65823200  0.82911600  0.21515800  1
  Fe  Fe9  1  0.34176800  0.17088400  0.71515800  1
  Fe  Fe10  1  0.82911600  0.65823200  0.71515800  1
  Fe  Fe11  1  0.82911600  0.17088400  0.71515800  1
  O  O12  1  0.16848700  0.83151300  0.59500700  1
  O  O13  1  0.03851400  0.51925700  0.34294100  1
  O  O14  1  0.33333300  0.66666700  0.10433900  1
  O  O15  1  0.00000000  0.00000000  0.30630300  1
  O  O16  1  0.00000000  0.00000000  0.80630300  1
  O  O17  1  0.16848700  0.33697500  0.59500700  1
  O  O18  1  0.48074300  0.96148600  0.34294100  1
  O  O19  1  0.48074300  0.51925700  0.34294100  1
  O  O20  1  0.33697500  0.16848700  0.09500700  1
  O  O21  1  0.66302500  0.83151300  0.59500700  1
  O  O22  1  0.51925700  0.48074300  0.84294100  1
  O  O23  1  0.51925700  0.03851400  0.84294100  1
  O  O24  1  0.66666700  0.33333300  0.60433900  1
  O  O25  1  0.83151300  0.66302500  0.09500700  1
  O  O26  1  0.96148600  0.48074300  0.84294100  1
  O  O27  1  0.83151300  0.16848700  0.09500700  1
