data_[Ti4Fe8O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.1451]
_cell_length_b [5.5159]
_cell_length_c [11.6654]
_cell_angle_alpha [97.4118]
_cell_angle_beta [102.6535]
_cell_angle_gamma [91.1380]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti2Fe4O9]
_chemical_formula_sum '[Ti4 Fe8 O18]'
_cell_volume [319.9301]
_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
[
  Ti  Ti0  2  0.0476  0.3343  0.0970  1
  Ti  Ti1  2  0.2801  0.9899  0.5732  1
  Fe  Fe2  2  0.1216  0.8166  0.2363  1
  Fe  Fe3  2  0.2207  0.5110  0.4320  1
  Fe  Fe4  2  0.3816  0.6676  0.7636  1
  Fe  Fe5  2  0.4500  0.1581  0.9035  1
  O  O6  2  0.0233  0.5140  0.7382  1
  O  O7  2  0.0611  0.2300  0.5019  1
  O  O8  2  0.1011  0.3166  0.9409  1
  O  O9  2  0.2103  0.0271  0.7261  1
  O  O10  2  0.2616  0.0920  0.1665  1
  O  O11  2  0.3010  0.8092  0.9305  1
  O  O12  2  0.3661  0.8588  0.3977  1
  O  O13  2  0.3788  0.5767  0.1674  1
  O  O14  2  0.4397  0.6641  0.6044  1
]