data_[Pu12Al4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.3130]
_cell_length_b [14.1570]
_cell_length_c [6.8296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pu3AlSe6]
_chemical_formula_sum '[Pu12 Al4 Se24]'
_cell_volume [1093.8223]
_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
[
  Pu  Pu0  8  0.1814  0.0999  0.5266  1
  Pu  Pu1  4  0.0000  0.3954  0.5952  1
  Al  Al2  4  0.0000  0.1979  0.9723  1
  Se  Se3  8  0.1611  0.4761  0.3106  1
  Se  Se4  8  0.1676  0.2647  0.8065  1
  Se  Se5  4  0.0000  0.0388  0.8363  1
  Se  Se6  4  0.0000  0.2157  0.3233  1
]