data_[Y8Hf4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1218]
_cell_length_b [11.2622]
_cell_length_c [10.9103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y2HfO5]
_chemical_formula_sum '[Y8 Hf4 O20]'
_cell_volume [506.4679]
_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
[
  Y  Y0  8  0.0000  0.1392  0.0662  1.0
  Hf  Hf1  4  0.0000  0.1776  0.7500  1.0
  O  O2  8  0.0000  0.0492  0.6196  1.0
  O  O3  8  0.0000  0.2915  0.5885  1.0
  O  O4  4  0.0000  0.2661  0.2500  1.0
]