data_[Pu2Pa28Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.9834]
_cell_length_b [11.0092]
_cell_length_c [6.4071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PuPa14Al]
_chemical_formula_sum '[Pu2 Pa28 Al2]'
_cell_volume [774.7336]
_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  0.0000  0.0000  0.3661  1
  Pa  Pa1  8  0.2471  0.2491  0.3760  1
  Pa  Pa2  4  0.0000  0.2410  0.1364  1
  Pa  Pa3  4  0.2453  0.0000  0.6255  1
  Pa  Pa4  4  0.2466  0.0000  0.1178  1
  Pa  Pa5  4  0.5000  0.2500  0.1262  1
  Pa  Pa6  2  0.5000  0.0000  0.3748  1
  Pa  Pa7  2  0.5000  0.0000  0.8741  1
  Al  Al8  2  0.0000  0.0000  0.8690  1
]