data_[Na9Pu9Ni3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7861]
_cell_length_b [7.7861]
_cell_length_c [20.0760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Pu3NiS8]
_chemical_formula_sum '[Na9 Pu9 Ni3 S24]'
_cell_volume [1054.0175]
_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
[
  Na  Na0  9  0.0000  0.5000  0.0000  1
  Pu  Pu1  9  0.0000  0.5000  0.5000  1
  Ni  Ni2  3  0.0000  0.0000  0.5000  1
  S  S3  18  0.0277  0.5138  0.2348  1
  S  S4  6  0.0000  0.0000  0.2428  1
]