data_[Li10Ti4Fe10O24]
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 [C2]
_cell_length_a [5.1644]
_cell_length_b [9.1579]
_cell_length_c [10.0303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li5Ti2Fe5O12]
_chemical_formula_sum '[Li10 Ti4 Fe10 O24]'
_cell_volume [464.8820]
_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  4  0.2472  0.0802  0.2448  1
  Li  Li1  4  0.2479  0.9179  0.7536  1
  Li  Li2  2  0.0000  0.9205  0.0000  1
  Ti  Ti3  2  0.0000  0.2523  0.0000  1
  Ti  Ti4  2  0.0000  0.7464  0.5000  1
  Fe  Fe5  4  0.2495  0.7544  0.2481  1
  Fe  Fe6  2  0.0000  0.0775  0.5000  1
  Fe  Fe7  2  0.0000  0.4192  0.5000  1
  Fe  Fe8  2  0.0000  0.5812  0.0000  1
  O  O9  4  0.1034  0.9035  0.3798  1
  O  O10  4  0.1043  0.5952  0.3815  1
  O  O11  4  0.1050  0.4123  0.8862  1
  O  O12  4  0.1280  0.0973  0.8858  1
  O  O13  4  0.1319  0.2488  0.3821  1
  O  O14  4  0.1372  0.7419  0.8856  1
]