data_[Pu2Cu5Ni5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9429]
_cell_length_b [5.0357]
_cell_length_c [8.6799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Pu2(CuNi)5]
_chemical_formula_sum '[Pu2 Cu5 Ni5]'
_cell_volume [172.3430]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pu  Pu1  1  0.0000  0.5000  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.1690  1
  Cu  Cu3  2  0.0000  0.5000  0.3331  1
  Cu  Cu4  1  0.5000  0.0000  0.0000  1
  Ni  Ni5  4  0.5000  0.2507  0.2517  1
  Ni  Ni6  1  0.5000  0.5000  0.5000  1
]