data_[Pu4Cd4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6251]
_cell_length_b [3.1562]
_cell_length_c [9.3204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuCdFe]
_chemical_formula_sum '[Pu4 Cd4 Fe4]'
_cell_volume [243.0841]
_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
[
  Pu  Pu0  4  0.0824  0.0000  0.8889  1
  Cd  Cd1  4  0.1103  0.5000  0.4129  1
  Fe  Fe2  4  0.2364  0.5000  0.7673  1
]