data_[Pu4Hf4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7676]
_cell_length_b [5.4705]
_cell_length_c [8.6963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuHfSe4]
_chemical_formula_sum '[Pu4 Hf4 Se16]'
_cell_volume [763.2434]
_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  4  0.2135  0.0000  0.3038  1
  Hf  Hf1  4  0.1042  0.0000  0.6763  1
  Se  Se2  4  0.0539  0.0000  0.3481  1
  Se  Se3  4  0.1170  0.5000  0.6810  1
  Se  Se4  4  0.1478  0.0000  0.9826  1
  Se  Se5  4  0.2349  0.5000  0.3438  1
]