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 [P-1]
_cell_length_a [4.2024]
_cell_length_b [6.1659]
_cell_length_c [8.1022]
_cell_angle_alpha [105.1782]
_cell_angle_beta [104.9468]
_cell_angle_gamma [90.0761]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2TiFe2O5]
_chemical_formula_sum '[Li4 Ti2 Fe4 O10]'
_cell_volume [195.2281]
_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  2  0.1837  0.1284  0.3789  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Li  Li2  1  0.0000  0.5000  0.0000  1
  Ti  Ti3  2  0.4370  0.1786  0.8003  1
  Fe  Fe4  2  0.2020  0.6342  0.3993  1
  Fe  Fe5  2  0.3994  0.6848  0.8017  1
  O  O6  2  0.1095  0.3317  0.2176  1
  O  O7  2  0.1141  0.8181  0.1898  1
  O  O8  2  0.3073  0.3444  0.6239  1
  O  O9  2  0.3105  0.9037  0.6233  1
  O  O10  1  0.5000  0.0000  0.0000  1
  O  O11  1  0.5000  0.5000  0.0000  1
]