data_[Pu4Hf2Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7634]
_cell_length_b [8.6325]
_cell_length_c [10.1106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pu2HfSc6]
_chemical_formula_sum '[Pu4 Hf2 Sc12]'
_cell_volume [431.1806]
_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  0.1620  0.5498  0.1480  1
  Hf  Hf1  2  0.5000  0.0000  0.5000  1
  Sc  Sc2  4  0.0286  0.6428  0.6964  1
  Sc  Sc3  4  0.2991  0.1904  0.1627  1
  Sc  Sc4  4  0.3458  0.6452  0.5145  1
]