data_[Ti7Fe9O24]
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 [P1]
_cell_length_a [7.5701]
_cell_length_b [7.6130]
_cell_length_c [8.9468]
_cell_angle_alpha [67.0241]
_cell_angle_beta [67.0186]
_cell_angle_gamma [85.6947]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ti7(Fe3O8)3]
_chemical_formula_sum '[Ti7 Fe9 O24]'
_cell_volume [435.2115]
_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
[
  Ti  Ti0  1  0.0317  0.5299  0.6500  1
  Ti  Ti1  1  0.2232  0.2182  0.8520  1
  Ti  Ti2  1  0.2858  0.2845  0.1433  1
  Ti  Ti3  1  0.4679  0.9710  0.3588  1
  Ti  Ti4  1  0.7198  0.7197  0.8518  1
  Ti  Ti5  1  0.7805  0.7800  0.1433  1
  Ti  Ti6  1  0.9690  0.4690  0.3536  1
  Fe  Fe7  1  0.0296  0.0329  0.6471  1
  Fe  Fe8  1  0.2214  0.7209  0.8526  1
  Fe  Fe9  1  0.2838  0.7817  0.1466  1
  Fe  Fe10  1  0.4719  0.4661  0.3545  1
  Fe  Fe11  1  0.5264  0.0281  0.6466  1
  Fe  Fe12  1  0.5309  0.5289  0.6451  1
  Fe  Fe13  1  0.7165  0.2189  0.8506  1
  Fe  Fe14  1  0.7820  0.2837  0.1454  1
  Fe  Fe15  1  0.9669  0.9669  0.3566  1
  O  O16  1  0.0254  0.7125  0.7442  1
  O  O17  1  0.0323  0.7010  0.1070  1
  O  O18  1  0.0464  0.6978  0.4114  1
  O  O19  1  0.1896  0.0629  0.0932  1
  O  O20  1  0.2104  0.0407  0.3902  1
  O  O21  1  0.2211  0.0371  0.7591  1
  O  O22  1  0.2704  0.4650  0.2431  1
  O  O23  1  0.2808  0.4554  0.6061  1
  O  O24  1  0.2997  0.4358  0.9177  1
  O  O25  1  0.4487  0.8098  0.5854  1
  O  O26  1  0.4667  0.7960  0.8962  1
  O  O27  1  0.4825  0.7868  0.2585  1
  O  O28  1  0.5173  0.2184  0.7481  1
  O  O29  1  0.5349  0.2030  0.1071  1
  O  O30  1  0.5450  0.1882  0.4067  1
  O  O31  1  0.7007  0.5679  0.0824  1
  O  O32  1  0.7188  0.5420  0.3933  1
  O  O33  1  0.7285  0.5378  0.7572  1
  O  O34  1  0.7805  0.9594  0.2504  1
  O  O35  1  0.7978  0.9508  0.5967  1
  O  O36  1  0.8012  0.9358  0.9158  1
  O  O37  1  0.9513  0.3207  0.5812  1
  O  O38  1  0.9673  0.2988  0.8891  1
  O  O39  1  0.9758  0.2758  0.2619  1
]