data_[K1Pu1Tl2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7965]
_cell_length_b [6.1142]
_cell_length_c [6.9971]
_cell_angle_alpha [95.5190]
_cell_angle_beta [110.7739]
_cell_angle_gamma [117.5426]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KPuTl2O6]
_chemical_formula_sum '[K1 Pu1 Tl2 O6]'
_cell_volume [195.1965]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.3760  0.1603  0.5915  1
  Pu  Pu1  1  0.3388  0.6679  0.0118  1
  Tl  Tl2  1  0.0044  0.0302  0.9817  1
  Tl  Tl3  1  0.9104  0.4497  0.3716  1
  O  O4  1  0.1688  0.8746  0.8265  1
  O  O5  1  0.2659  0.7854  0.2316  1
  O  O6  1  0.4328  0.5884  0.7946  1
  O  O7  1  0.4514  0.4441  0.1754  1
  O  O8  1  0.7997  0.0051  0.1819  1
  O  O9  1  0.9286  0.3327  0.8486  1
]