# generated using pymatgen
data_Li4Ti3Fe5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94536400
_cell_length_b   5.94678478
_cell_length_c   9.62622044
_cell_angle_alpha   89.52696818
_cell_angle_beta   89.47927147
_cell_angle_gamma   60.09695807
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Fe5O16
_chemical_formula_sum   'Li4 Ti3 Fe5 O16'
_cell_volume   295.01808610
_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  0.33645600  0.32793400  0.10792500  1
  Li  Li1  1  0.99155700  0.00390100  0.00416600  1
  Li  Li2  1  0.99648500  0.00317900  0.50296400  1
  Li  Li3  1  0.66654300  0.66603100  0.60452400  1
  Ti  Ti4  1  0.17093000  0.16800600  0.78613500  1
  Ti  Ti5  1  0.17255300  0.65989400  0.78409700  1
  Ti  Ti6  1  0.34104500  0.82944900  0.28438900  1
  Fe  Fe7  1  0.33513700  0.33559300  0.50850800  1
  Fe  Fe8  1  0.66088000  0.16794600  0.78679200  1
  Fe  Fe9  1  0.67153100  0.66326100  0.01040500  1
  Fe  Fe10  1  0.83155700  0.33938700  0.28594800  1
  Fe  Fe11  1  0.83093300  0.83044300  0.28619500  1
  O  O12  1  0.16709600  0.16327800  0.39864300  1
  O  O13  1  0.03829400  0.48254500  0.66539300  1
  O  O14  1  0.32014000  0.33801200  0.89693100  1
  O  O15  1  0.00678100  0.99702000  0.68945300  1
  O  O16  1  0.00817600  0.99585000  0.18962000  1
  O  O17  1  0.17019800  0.67333300  0.40042400  1
  O  O18  1  0.47264800  0.04104400  0.66153000  1
  O  O19  1  0.47289600  0.48833300  0.66274600  1
  O  O20  1  0.32669700  0.83529800  0.89695100  1
  O  O21  1  0.67404000  0.17105600  0.39912400  1
  O  O22  1  0.51811100  0.51907100  0.16255900  1
  O  O23  1  0.51477900  0.95840000  0.15975400  1
  O  O24  1  0.65590000  0.67426100  0.39760600  1
  O  O25  1  0.84260700  0.32620500  0.89727100  1
  O  O26  1  0.96313400  0.51144800  0.16252800  1
  O  O27  1  0.84289700  0.82952000  0.89958300  1
