data_[Pu4Hf8Zr20]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [6.4339]
_cell_length_b [10.3921]
_cell_length_c [11.1564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [PuHf2Zr5]
_chemical_formula_sum '[Pu4 Hf8 Zr20]'
_cell_volume [745.9400]
_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  0.0000  0.0000  0.1794  1
  Hf  Hf1  8  0.0000  0.2482  0.5113  1
  Zr  Zr2  8  0.2500  0.0000  0.4323  1
  Zr  Zr3  8  0.2500  0.2500  0.2660  1
  Zr  Zr4  4  0.0000  0.0000  0.6789  1
]