# generated using pymatgen
data_Li6TiFe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03968360
_cell_length_b   5.03968360
_cell_length_c   10.11363800
_cell_angle_alpha   86.77763728
_cell_angle_beta   86.77763728
_cell_angle_gamma   118.50011586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6TiFe5O12
_chemical_formula_sum   'Li6 Ti1 Fe5 O12'
_cell_volume   224.37341315
_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  0.70654800  0.05432000  0.75655200  1
  Li  Li1  1  0.05432000  0.70654800  0.75655200  1
  Li  Li2  1  0.61639100  0.61639100  0.24370100  1
  Li  Li3  1  0.38360900  0.38360900  0.75629900  1
  Li  Li4  1  0.94568000  0.29345200  0.24344800  1
  Li  Li5  1  0.29345200  0.94568000  0.24344800  1
  Ti  Ti6  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe8  1  0.66493300  0.33506700  0.00000000  1
  Fe  Fe9  1  0.33506700  0.66493300  0.00000000  1
  Fe  Fe10  1  0.16869000  0.83131000  0.50000000  1
  Fe  Fe11  1  0.83131000  0.16869000  0.50000000  1
  O  O12  1  0.89003500  0.89003500  0.39275400  1
  O  O13  1  0.70951000  0.70951000  0.88379400  1
  O  O14  1  0.77777200  0.42491800  0.61836600  1
  O  O15  1  0.42491800  0.77777200  0.61836600  1
  O  O16  1  0.02716200  0.34624600  0.88375400  1
  O  O17  1  0.34624600  0.02716200  0.88375400  1
  O  O18  1  0.65375400  0.97283800  0.11624600  1
  O  O19  1  0.97283800  0.65375400  0.11624600  1
  O  O20  1  0.57508200  0.22222800  0.38163400  1
  O  O21  1  0.22222800  0.57508200  0.38163400  1
  O  O22  1  0.29049000  0.29049000  0.11620600  1
  O  O23  1  0.10996500  0.10996500  0.60724600  1
