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/m]
_cell_length_a [9.1613]
_cell_length_b [4.2111]
_cell_length_c [9.5043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2TiFe2O5]
_chemical_formula_sum '[Li8 Ti4 Fe8 O20]'
_cell_volume [366.5089]
_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  4  0.0943  0.5000  0.2955  1.0
  Li  Li1  4  0.2019  0.0000  0.1015  1.0
  Ti  Ti2  4  0.1068  0.0000  0.8087  1.0
  Fe  Fe3  4  0.2115  0.5000  0.5892  1.0
  Fe  Fe4  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe5  2  0.0000  0.5000  0.0000  1.0
  O  O6  4  0.0871  0.0000  0.2961  1.0
  O  O7  4  0.1033  0.5000  0.8020  1.0
  O  O8  4  0.2030  0.0000  0.6191  1.0
  O  O9  4  0.2112  0.5000  0.1012  1.0
  O  O10  2  0.0000  0.0000  0.0000  1.0
  O  O11  2  0.0000  0.5000  0.5000  1.0
]