data_[Pu2Mg32Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5935]
_cell_length_b [15.0532]
_cell_length_c [9.0391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pu(Mg4Al3)4]
_chemical_formula_sum '[Pu2 Mg32 Al24]'
_cell_volume [1175.5756]
_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  2  0.1854  0.5000  0.2726  1
  Mg  Mg1  4  0.0562  0.3416  0.3965  1
  Mg  Mg2  4  0.1567  0.8413  0.6023  1
  Mg  Mg3  4  0.1686  0.1706  0.9948  1
  Mg  Mg4  4  0.3002  0.2982  0.3157  1
  Mg  Mg5  4  0.4577  0.1470  0.9996  1
  Mg  Mg6  4  0.4859  0.1987  0.6840  1
  Mg  Mg7  2  0.0035  0.0000  0.9986  1
  Mg  Mg8  2  0.0102  0.0000  0.3481  1
  Mg  Mg9  2  0.1533  0.5000  0.6446  1
  Mg  Mg10  2  0.4024  0.0000  0.7220  1
  Al  Al11  4  0.0020  0.1819  0.1895  1
  Al  Al12  4  0.2223  0.4097  0.9994  1
  Al  Al13  4  0.2710  0.0931  0.3668  1
  Al  Al14  4  0.3171  0.3173  0.8192  1
  Al  Al15  4  0.4038  0.4071  0.6314  1
  Al  Al16  2  0.1890  0.0000  0.8232  1
  Al  Al17  2  0.3731  0.0000  0.1926  1
]