data_[Ti2Fe2O6]
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 [5.4297]
_cell_length_b [5.4916]
_cell_length_c [6.0518]
_cell_angle_alpha [84.6588]
_cell_angle_beta [64.7894]
_cell_angle_gamma [83.4215]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiFeO3]
_chemical_formula_sum '[Ti2 Fe2 O6]'
_cell_volume [161.9897]
_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  0.0805  0.2479  0.3840  1.0
  Fe  Fe1  2  0.4502  0.3216  0.7249  1.0
  O  O2  2  0.2149  0.2979  0.0676  1.0
  O  O3  2  0.2346  0.4565  0.5185  1.0
  O  O4  2  0.2469  0.9348  0.4338  1.0
]