data_[K4Pu4Ir4O24]
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
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2424]
_cell_length_b [7.7938]
_cell_length_c [10.5286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [KPuIrO6]
_chemical_formula_sum '[K4 Pu4 Ir4 O24]'
_cell_volume [594.2951]
_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
[
  K  K0  4  0.0000  0.2500  0.8998  1
  Pu  Pu1  4  0.0000  0.0000  0.5000  1
  Ir  Ir2  4  0.2500  0.2500  0.2500  1
  O  O3  16  0.2005  0.0675  0.3764  1
  O  O4  4  0.0000  0.2500  0.1876  1
  O  O5  4  0.0000  0.2500  0.5758  1
]