data_[Ce20Pu4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6584]
_cell_length_b [7.3718]
_cell_length_c [10.6655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce5PuNi]
_chemical_formula_sum '[Ce20 Pu4 Ni4]'
_cell_volume [689.3993]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  8  0.1071  0.3069  0.0481  1
  Ce  Ce1  8  0.2447  0.3650  0.3807  1
  Ce  Ce2  4  0.0000  0.0394  0.7500  1
  Pu  Pu3  4  0.0000  0.0000  0.0000  1
  Ni  Ni4  4  0.0000  0.4193  0.7500  1
]