data_[Li4Ti4Fe4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2646]
_cell_length_b [5.9803]
_cell_length_c [5.9329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTiFeO4]
_chemical_formula_sum '[Li4 Ti4 Fe4 O16]'
_cell_volume [299.8091]
_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  2  0.2547  0.5000  0.2490  1.0
  Li  Li1  2  0.3740  0.0000  0.6250  1.0
  Ti  Ti2  4  0.1146  0.2588  0.6164  1.0
  Fe  Fe3  2  0.3765  0.0000  0.1264  1.0
  Fe  Fe4  2  0.4923  0.5000  0.0051  1.0
  O  O5  4  0.3633  0.2380  0.8705  1.0
  O  O6  4  0.3966  0.2358  0.3859  1.0
  O  O7  2  0.1226  0.5000  0.3961  1.0
  O  O8  2  0.1251  0.5000  0.8395  1.0
  O  O9  2  0.1276  0.0000  0.3993  1.0
  O  O10  2  0.1284  0.0000  0.8638  1.0
]