data_[Pu2Hf2Zr6]
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 [P-1]
_cell_length_a [5.6001]
_cell_length_b [6.1545]
_cell_length_c [7.6058]
_cell_angle_alpha [74.9092]
_cell_angle_beta [68.3985]
_cell_angle_gamma [89.5075]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PuHfZr3]
_chemical_formula_sum '[Pu2 Hf2 Zr6]'
_cell_volume [234.2077]
_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  0.2866  0.1515  0.1027  1
  Hf  Hf1  2  0.1054  0.6507  0.0978  1
  Zr  Zr2  2  0.0919  0.7510  0.4950  1
  Zr  Zr3  2  0.3067  0.0524  0.6960  1
  Zr  Zr4  2  0.4770  0.5456  0.7060  1
]