data_[Yb4Hf4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7962]
_cell_length_b [8.0330]
_cell_length_c [5.5946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YbHfO3]
_chemical_formula_sum '[Yb4 Hf4 O12]'
_cell_volume [260.4878]
_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
[
  Yb  Yb0  4  0.0547  0.2500  0.9843  1
  Hf  Hf1  4  0.0000  0.0000  0.5000  1
  O  O2  8  0.2029  0.5560  0.1997  1
  O  O3  4  0.0369  0.7500  0.6057  1
]