data_[Pr10Pu2Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5441]
_cell_length_b [7.8185]
_cell_length_c [16.6779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr5PuTl6]
_chemical_formula_sum '[Pr10 Pu2 Tl12]'
_cell_volume [722.9387]
_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
[
  Pr  Pr0  4  0.0000  0.0000  0.3315  1
  Pr  Pr1  4  0.0000  0.5000  0.3376  1
  Pr  Pr2  2  0.0000  0.5000  0.0000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  8  0.0000  0.2516  0.1668  1
  Tl  Tl5  4  0.0000  0.2474  0.5000  1
]