data_[Pu3Np3Zn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.9965]
_cell_length_b [8.9965]
_cell_length_c [13.2105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PuNpZn17]
_chemical_formula_sum '[Pu3 Np3 Zn51]'
_cell_volume [925.9773]
_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  0.3369  1
  Np  Np1  3  0.0000  0.0000  0.6637  1
  Zn  Zn2  18  0.0368  0.3698  0.6667  1
  Zn  Zn3  9  0.0079  0.5040  0.1513  1
  Zn  Zn4  9  0.1667  0.3334  0.8333  1
  Zn  Zn5  9  0.1715  0.3430  0.1821  1
  Zn  Zn6  3  0.0000  0.0000  0.1000  1
  Zn  Zn7  3  0.0000  0.0000  0.8990  1
]