data_[Pu24Tl8F80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2158]
_cell_length_b [12.2158]
_cell_length_c [12.2158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Pu3TlF10]
_chemical_formula_sum '[Pu24 Tl8 F80]'
_cell_volume [1822.9078]
_cell_formula_units_Z [8]
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  24  0.0000  0.0000  0.2598  1
  Tl  Tl1  8  0.2500  0.2500  0.2500  1
  F  F2  48  0.0000  0.1647  0.1647  1
  F  F3  32  0.1121  0.1121  0.3879  1
]