data_[Pu3U3Zn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.9912]
_cell_length_b [8.9912]
_cell_length_c [13.1860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PuUZn17]
_chemical_formula_sum '[Pu3 U3 Zn51]'
_cell_volume [923.1575]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6626  1
  U  U1  3  0.0000  0.0000  0.3366  1
  Zn  Zn2  18  0.0002  0.2967  0.0000  1
  Zn  Zn3  9  0.0093  0.5046  0.1513  1
  Zn  Zn4  9  0.1670  0.3340  0.8336  1
  Zn  Zn5  9  0.1710  0.3420  0.1816  1
  Zn  Zn6  3  0.0000  0.0000  0.1013  1
  Zn  Zn7  3  0.0000  0.0000  0.8999  1
]