data_[Hf2Ti2Bi2O12]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8850]
_cell_length_b [4.8850]
_cell_length_c [9.7915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [HfTiBiO6]
_chemical_formula_sum '[Hf2 Ti2 Bi2 O12]'
_cell_volume [233.6593]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.6683  1.0
  Ti  Ti1  2  0.0000  0.0000  0.3294  1.0
  Bi  Bi2  2  0.0000  0.0000  0.9988  1.0
  O  O3  4  0.1772  0.8228  0.4946  1.0
  O  O4  4  0.1972  0.8028  0.1861  1.0
  O  O5  4  0.2102  0.7898  0.8210  1.0
]