data_[K4Pu6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7436]
_cell_length_b [6.9305]
_cell_length_c [5.9406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Pu3O8]
_chemical_formula_sum '[K4 Pu6 O16]'
_cell_volume [491.9706]
_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
[
  K  K0  4  0.2127  0.5000  0.6558  1
  Pu  Pu1  4  0.0000  0.2559  0.0000  1
  Pu  Pu2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0878  0.2137  0.3780  1
  O  O4  4  0.0879  0.0000  0.9048  1
  O  O5  4  0.0953  0.5000  0.9662  1
]