data_[Tb1Hf1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hf  1.3000  1.5500  0.8500
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3940]
_cell_length_b [5.3958]
_cell_length_c [5.7648]
_cell_angle_alpha [116.9982]
_cell_angle_beta [90.7968]
_cell_angle_gamma [119.8073]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TbHf(FeO3)2]
_chemical_formula_sum '[Tb1 Hf1 Fe2 O6]'
_cell_volume [123.3372]
_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
[
  Tb  Tb0  1  0.8023  0.6032  0.4130  1.0
  Hf  Hf1  1  0.3149  0.6277  0.9426  1.0
  Fe  Fe2  1  0.0165  0.0318  0.0505  1.0
  Fe  Fe3  1  0.5285  0.0525  0.5742  1.0
  O  O4  1  0.1459  0.8682  0.2451  1.0
  O  O5  1  0.2167  0.8368  0.7657  1.0
  O  O6  1  0.3696  0.5049  0.2351  1.0
  O  O7  1  0.6157  0.5487  0.7667  1.0
  O  O8  1  0.7278  0.0988  0.2337  1.0
  O  O9  1  0.9238  0.1506  0.7582  1.0
]