data_[Pu2Mg2Tl2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9773]
_cell_length_b [4.9773]
_cell_length_c [9.8073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [PuMgTlO6]
_chemical_formula_sum '[Pu2 Mg2 Tl2 O12]'
_cell_volume [242.9637]
_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  0.0000  0.6675  1
  Mg  Mg1  2  0.0000  0.0000  0.3327  1
  Tl  Tl2  2  0.0000  0.0000  0.0020  1
  O  O3  4  0.1819  0.8181  0.5072  1
  O  O4  4  0.2001  0.7999  0.8158  1
  O  O5  4  0.2117  0.7883  0.1759  1
]