data_[Hf1Ti1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [5.2672]
_cell_length_b [5.2722]
_cell_length_c [5.5977]
_cell_angle_alpha [62.4092]
_cell_angle_beta [62.5289]
_cell_angle_gamma [60.3067]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HfTi(FeO3)2]
_chemical_formula_sum '[Hf1 Ti1 Fe2 O6]'
_cell_volume [114.1219]
_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
[
  Hf  Hf0  1  0.8182  0.8123  0.5582  1
  Ti  Ti1  1  0.3096  0.3160  0.0641  1
  Fe  Fe2  1  0.0266  0.0223  0.9241  1
  Fe  Fe3  1  0.5166  0.5226  0.4320  1
  O  O4  1  0.1033  0.4351  0.7645  1
  O  O5  1  0.2036  0.9600  0.2454  1
  O  O6  1  0.4425  0.6943  0.7505  1
  O  O7  1  0.5809  0.2164  0.2569  1
  O  O8  1  0.7036  0.0955  0.7683  1
  O  O9  1  0.9567  0.5871  0.2510  1
]