data_[Pu20Sb8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.7490]
_cell_length_b [8.2120]
_cell_length_c [8.2318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pu5(SbTe)2]
_chemical_formula_sum '[Pu20 Sb8 Te8]'
_cell_volume [1064.6226]
_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  16  0.1347  0.1564  0.6537  1
  Pu  Pu1  4  0.0000  0.0000  0.0000  1
  Sb  Sb2  8  0.0000  0.1460  0.3536  1
  Te  Te3  8  0.1995  0.0000  0.0000  1
]