data_[Pu8Mn8Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1484]
_cell_length_b [7.4984]
_cell_length_c [10.5750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pu4Mn4Al]
_chemical_formula_sum '[Pu8 Mn8 Al2]'
_cell_volume [328.9457]
_cell_formula_units_Z [2]
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  0.1878  0.5000  1
  Pu  Pu1  4  0.0000  0.5000  0.2465  1
  Mn  Mn2  8  0.0000  0.1951  0.1957  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
]