data_[Li4Ti1Fe3O8]
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 [5.0495]
_cell_length_b [5.6851]
_cell_length_c [6.5394]
_cell_angle_alpha [90.8273]
_cell_angle_beta [90.1809]
_cell_angle_gamma [90.1997]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4TiFe3O8]
_chemical_formula_sum '[Li4 Ti1 Fe3 O8]'
_cell_volume [187.7034]
_cell_formula_units_Z [1]
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  0.4981  0.0900  0.6237  1.0
  Li  Li1  1  0.4992  0.5794  0.8747  1.0
  Li  Li2  1  0.9889  0.9211  0.3793  1.0
  Li  Li3  1  0.9894  0.4191  0.1261  1.0
  Ti  Ti4  1  0.5015  0.0814  0.1247  1.0
  Fe  Fe5  1  0.4985  0.5841  0.3750  1.0
  Fe  Fe6  1  0.9820  0.9075  0.8619  1.0
  Fe  Fe7  1  0.9924  0.4158  0.6286  1.0
  O  O8  1  0.3777  0.4316  0.6126  1.0
  O  O9  1  0.3920  0.9080  0.3521  1.0
  O  O10  1  0.3929  0.3971  0.1390  1.0
  O  O11  1  0.3981  0.9323  0.8901  1.0
  O  O12  1  0.8594  0.0823  0.1294  1.0
  O  O13  1  0.8750  0.5818  0.3868  1.0
  O  O14  1  0.8893  0.0992  0.6222  1.0
  O  O15  1  0.8919  0.5694  0.8739  1.0
]