data_[Pu4Ti4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.0249]
_cell_length_b [3.0249]
_cell_length_c [23.3721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [PuTiW]
_chemical_formula_sum '[Pu4 Ti4 W4]'
_cell_volume [213.8534]
_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  0.0000  0.0000  0.4514  1
  Ti  Ti1  4  0.0000  0.0000  0.1420  1
  W  W2  4  0.0000  0.0000  0.2845  1
]