data_[Li4Ti2Fe4O10]
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 [P1]
_cell_length_a [5.2987]
_cell_length_b [5.3028]
_cell_length_c [7.8610]
_cell_angle_alpha [82.2166]
_cell_angle_beta [70.7995]
_cell_angle_gamma [67.6280]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2TiFe2O5]
_chemical_formula_sum '[Li4 Ti2 Fe4 O10]'
_cell_volume [192.8781]
_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  1  0.3047  0.5116  0.4022  1.0
  Li  Li1  1  0.6129  0.0088  0.7979  1.0
  Li  Li2  1  0.6959  0.4971  0.6029  1.0
  Li  Li3  1  0.9996  0.9971  0.9960  1.0
  Ti  Ti4  1  0.0938  0.4919  0.8011  1.0
  Ti  Ti5  1  0.7894  0.9939  0.4109  1.0
  Fe  Fe6  1  0.2058  0.0005  0.6072  1.0
  Fe  Fe7  1  0.4071  0.9967  0.1890  1.0
  Fe  Fe8  1  0.4955  0.5059  0.0023  1.0
  Fe  Fe9  1  0.9058  0.4973  0.2004  1.0
  O  O10  1  0.0396  0.2080  0.3987  1.0
  O  O11  1  0.1211  0.7575  0.2161  1.0
  O  O12  1  0.2525  0.2566  0.9810  1.0
  O  O13  1  0.3198  0.7235  0.8010  1.0
  O  O14  1  0.4540  0.2517  0.5972  1.0
  O  O15  1  0.5764  0.7688  0.4018  1.0
  O  O16  1  0.6520  0.2529  0.2103  1.0
  O  O17  1  0.7595  0.7472  0.9852  1.0
  O  O18  1  0.8708  0.2796  0.7991  1.0
  O  O19  1  0.9439  0.7535  0.5996  1.0
]