data_[Pu2Pa2Ti2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2964]
_cell_length_b [5.5667]
_cell_length_c [6.9335]
_cell_angle_alpha [103.6535]
_cell_angle_beta [93.8735]
_cell_angle_gamma [106.9772]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PuPaTi]
_chemical_formula_sum '[Pu2 Pa2 Ti2]'
_cell_volume [116.9638]
_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  0.3096  0.1310  0.9518  1
  Pa  Pa1  2  0.1292  0.4763  0.7644  1
  Ti  Ti2  2  0.3309  0.1668  0.4246  1
]