data_[Pu2Zn12Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9426]
_cell_length_b [8.3613]
_cell_length_c [8.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pu(ZnNi)6]
_chemical_formula_sum '[Pu2 Zn12 Ni12]'
_cell_volume [357.2754]
_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  0.0000  0.0000  0.0000  1
  Zn  Zn1  4  0.0000  0.0000  0.3511  1
  Zn  Zn2  4  0.0000  0.3443  0.0000  1
  Zn  Zn3  4  0.0000  0.5000  0.2961  1
  Ni  Ni4  8  0.2500  0.2500  0.2500  1
  Ni  Ni5  4  0.0000  0.2723  0.5000  1
]