data_[Pu4Sc4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4561]
_cell_length_b [4.4561]
_cell_length_c [21.2344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [PuScSb2]
_chemical_formula_sum '[Pu4 Sc4 Sb8]'
_cell_volume [421.6442]
_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  4  0.0000  0.0000  0.1078  1
  Sc  Sc1  4  0.0000  0.5000  0.2500  1
  Sb  Sb2  4  0.0000  0.0000  0.3427  1
  Sb  Sb3  4  0.0000  0.5000  0.0000  1
]