data_[Li8Ti8Fe10O36]
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 [2.9405]
_cell_length_b [9.2697]
_cell_length_c [25.1125]
_cell_angle_alpha [90.2956]
_cell_angle_beta [90.1391]
_cell_angle_gamma [90.3346]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Ti4Fe5O18]
_chemical_formula_sum '[Li8 Ti8 Fe10 O36]'
_cell_volume [684.4860]
_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  0.0003  0.3106  0.3178  1
  Li  Li1  1  0.0005  0.7981  0.9872  1
  Li  Li2  1  0.0005  0.1948  0.8194  1
  Li  Li3  1  0.0006  0.2019  0.0169  1
  Li  Li4  1  0.0034  0.3000  0.5063  1
  Li  Li5  1  0.9945  0.8020  0.1796  1
  Li  Li6  1  0.9978  0.6939  0.4900  1
  Li  Li7  1  0.9991  0.6915  0.6805  1
  Ti  Ti8  1  0.4973  0.1624  0.1925  1
  Ti  Ti9  1  0.4987  0.3323  0.6889  1
  Ti  Ti10  1  0.4988  0.8389  0.8076  1
  Ti  Ti11  1  0.5004  0.6693  0.3113  1
  Ti  Ti12  1  0.9963  0.0043  0.0999  1
  Ti  Ti13  1  0.9991  0.9958  0.9010  1
  Ti  Ti14  1  0.9994  0.4910  0.5987  1
  Ti  Ti15  1  0.9995  0.5081  0.4021  1
  Fe  Fe16  1  0.0001  0.0119  0.3115  1
  Fe  Fe17  1  0.0024  0.5069  0.1944  1
  Fe  Fe18  1  0.0142  0.5001  0.0010  1
  Fe  Fe19  1  0.4931  0.6553  0.0846  1
  Fe  Fe20  1  0.4991  0.8401  0.5851  1
  Fe  Fe21  1  0.4999  0.1585  0.4139  1
  Fe  Fe22  1  0.5044  0.3471  0.9155  1
  Fe  Fe23  1  0.9985  0.4940  0.8057  1
  Fe  Fe24  1  0.9997  0.9883  0.6876  1
  Fe  Fe25  1  0.9998  0.0005  0.4969  1
  O  O26  1  0.0001  0.3835  0.7381  1
  O  O27  1  0.0006  0.3101  0.4207  1
  O  O28  1  0.0019  0.6932  0.3606  1
  O  O29  1  0.0024  0.1943  0.9194  1
  O  O30  1  0.0038  0.7004  0.5823  1
  O  O31  1  0.0069  0.4896  0.9253  1
  O  O32  1  0.0286  0.5128  0.0758  1
  O  O33  1  0.4876  0.9599  0.1555  1
  O  O34  1  0.4894  0.0678  0.0562  1
  O  O35  1  0.4982  0.4662  0.3457  1
  O  O36  1  0.4982  0.4401  0.5547  1
  O  O37  1  0.4983  0.8470  0.5082  1
  O  O38  1  0.4987  0.3665  0.8352  1
  O  O39  1  0.4991  0.8726  0.2980  1
  O  O40  1  0.4992  0.6327  0.7912  1
  O  O41  1  0.4998  0.3663  0.2089  1
  O  O42  1  0.5001  0.8519  0.6624  1
  O  O43  1  0.5005  0.1283  0.7009  1
  O  O44  1  0.5006  0.9304  0.9432  1
  O  O45  1  0.5009  0.1472  0.4979  1
  O  O46  1  0.5010  0.1495  0.3343  1
  O  O47  1  0.5018  0.5695  0.4460  1
  O  O48  1  0.5025  0.5353  0.6550  1
  O  O49  1  0.5028  0.0394  0.8439  1
  O  O50  1  0.5031  0.6315  0.1633  1
  O  O51  1  0.5100  0.3605  0.9988  1
  O  O52  1  0.5114  0.6408  0.0034  1
  O  O53  1  0.9733  0.8039  0.0812  1
  O  O54  1  0.9943  0.1887  0.1422  1
  O  O55  1  0.9960  0.9742  0.5845  1
  O  O56  1  0.9964  0.1062  0.2403  1
  O  O57  1  0.9979  0.3089  0.6380  1
  O  O58  1  0.9982  0.0126  0.4178  1
  O  O59  1  0.9994  0.6173  0.2609  1
  O  O60  1  0.9994  0.8112  0.8566  1
  O  O61  1  0.9999  0.8920  0.7576  1
]