# generated using pymatgen
data_Li4Ti5Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98486797
_cell_length_b   5.98486797
_cell_length_c   9.62887227
_cell_angle_alpha   89.92736339
_cell_angle_beta   89.92736339
_cell_angle_gamma   59.49827416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti5Fe3O16
_chemical_formula_sum   'Li4 Ti5 Fe3 O16'
_cell_volume   297.16440850
_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  0.66159200  0.66159200  0.10251700  1
  Li  Li1  1  0.99914900  0.99914900  0.00701700  1
  Li  Li2  1  0.00282100  0.00282100  0.50676300  1
  Li  Li3  1  0.33235900  0.33235900  0.60134000  1
  Ti  Ti4  1  0.17619600  0.17619600  0.27066100  1
  Ti  Ti5  1  0.34872800  0.84000700  0.77936200  1
  Ti  Ti6  1  0.66661000  0.66661000  0.50016700  1
  Ti  Ti7  1  0.84000700  0.34872800  0.77936200  1
  Ti  Ti8  1  0.34678700  0.34678700  0.00245100  1
  Fe  Fe9  1  0.82915800  0.82915800  0.78908300  1
  Fe  Fe10  1  0.17194700  0.65985000  0.28986300  1
  Fe  Fe11  1  0.65985000  0.17194700  0.28986300  1
  O  O12  1  0.34001100  0.82690900  0.40524400  1
  O  O13  1  0.51853500  0.51853500  0.66426600  1
  O  O14  1  0.65353500  0.65353500  0.89671100  1
  O  O15  1  0.00804500  0.00804500  0.69518900  1
  O  O16  1  0.00284300  0.00284300  0.19594500  1
  O  O17  1  0.82690900  0.34001100  0.40524400  1
  O  O18  1  0.50436300  0.95792900  0.65361800  1
  O  O19  1  0.95792900  0.50436300  0.65361800  1
  O  O20  1  0.16918700  0.16918700  0.90084800  1
  O  O21  1  0.83138800  0.83138800  0.40923500  1
  O  O22  1  0.03272000  0.47572500  0.16089500  1
  O  O23  1  0.47572500  0.03272000  0.16089500  1
  O  O24  1  0.32489100  0.32489100  0.39593800  1
  O  O25  1  0.18024500  0.66200700  0.90942800  1
  O  O26  1  0.47556200  0.47556200  0.15724300  1
  O  O27  1  0.66200700  0.18024500  0.90942800  1
