data_[K9Pu9Si3S24]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9566]
_cell_length_b [7.9566]
_cell_length_c [22.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Pu3SiS8]
_chemical_formula_sum '[K9 Pu9 Si3 S24]'
_cell_volume [1222.9916]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Pu  Pu1  9  0.0000  0.5000  0.5000  1
  Si  Si2  3  0.0000  0.0000  0.5000  1
  S  S3  18  0.0379  0.5190  0.2261  1
  S  S4  6  0.0000  0.0000  0.2338  1
]