data_[Pu4Tl2Ni2O16]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.4212]
_cell_length_b [5.4212]
_cell_length_c [10.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pu2TlNiO8]
_chemical_formula_sum '[Pu4 Tl2 Ni2 O16]'
_cell_volume [311.3048]
_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  0.5000  1
  Pu  Pu1  2  0.0000  0.5000  0.7500  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  2  0.0000  0.5000  0.2500  1
  O  O4  8  0.1725  0.6838  0.5620  1
  O  O5  8  0.1909  0.7880  0.3006  1
]