data_[Y8Pu2O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.4358]
_cell_length_b [8.4358]
_cell_length_c [5.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Y4PuO10]
_chemical_formula_sum '[Y8 Pu2 O20]'
_cell_volume [382.9715]
_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
[
  Y  Y0  8  0.0962  0.3056  0.5000  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  O  O2  16  0.0982  0.8153  0.2326  1
  O  O3  4  0.0000  0.5000  0.2500  1
]