data_[K4Pu6O12]
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 [6.1302]
_cell_length_b [10.6076]
_cell_length_c [6.6813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Pu3O6]
_chemical_formula_sum '[K4 Pu6 O12]'
_cell_volume [413.9316]
_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  0.0000  0.1672  0.5000  1
  Pu  Pu1  4  0.0000  0.3349  0.0000  1
  Pu  Pu2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.2198  0.1709  0.1730  1
  O  O4  4  0.2329  0.5000  0.1739  1
]