data_[Pu2Mg2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.2437]
_cell_length_b [8.7649]
_cell_length_c [6.3200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PuMgTl2F6]
_chemical_formula_sum '[Pu2 Mg2 Tl4 F12]'
_cell_volume [345.8614]
_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  0.0000  0.5000  0.2899  1
  Mg  Mg1  2  0.0000  0.0000  0.2301  1
  Tl  Tl2  4  0.0000  0.2529  0.7641  1
  F  F3  4  0.0000  0.2327  0.2216  1
  F  F4  4  0.2219  0.0000  0.4666  1
  F  F5  4  0.2415  0.0000  0.0120  1
]