data_[Li8Ti4Fe8O20]
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 [5.1429]
_cell_length_b [14.9257]
_cell_length_c [5.1384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2TiFe2O5]
_chemical_formula_sum '[Li8 Ti4 Fe8 O20]'
_cell_volume [371.4955]
_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  0.0000  0.2001  0.5000  1.0
  Li  Li1  2  0.0000  0.3971  0.5000  1.0
  Li  Li2  2  0.0000  0.4949  0.0000  1.0
  Li  Li3  2  0.0000  0.8981  0.0000  1.0
  Ti  Ti4  2  0.0000  0.3026  0.0000  1.0
  Ti  Ti5  2  0.0000  0.9911  0.5000  1.0
  Fe  Fe6  2  0.0000  0.0947  0.0000  1.0
  Fe  Fe7  2  0.0000  0.5989  0.5000  1.0
  Fe  Fe8  2  0.0000  0.6940  0.0000  1.0
  Fe  Fe9  2  0.0000  0.8004  0.5000  1.0
  O  O10  4  0.2292  0.9959  0.2660  1.0
  O  O11  4  0.2361  0.2018  0.2468  1.0
  O  O12  4  0.2413  0.0912  0.7449  1.0
  O  O13  4  0.2446  0.2952  0.7724  1.0
  O  O14  4  0.2470  0.3978  0.2450  1.0
]