data_[Ti8Fe4O20]
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 [Cmcm]
_cell_length_a [3.7578]
_cell_length_b [9.9227]
_cell_length_c [10.2403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti2FeO5]
_chemical_formula_sum '[Ti8 Fe4 O20]'
_cell_volume [381.8403]
_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
[
  Ti  Ti0  8  0.0000  0.3672  0.5670  1.0
  Fe  Fe1  4  0.0000  0.3074  0.2500  1.0
  O  O2  8  0.0000  0.1859  0.0588  1.0
  O  O3  8  0.0000  0.4549  0.1116  1.0
  O  O4  4  0.0000  0.2950  0.7500  1.0
]