data_[Y3Pu9Tl6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [R-3m]
_cell_length_a [8.0391]
_cell_length_b [8.0391]
_cell_length_c [18.9856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [YPu3Tl2O12]
_chemical_formula_sum '[Y3 Pu9 Tl6 O36]'
_cell_volume [1062.6092]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.0000  1
  Pu  Pu1  9  0.0000  0.5000  0.5000  1
  Tl  Tl2  6  0.0000  0.0000  0.3209  1
  O  O3  18  0.0634  0.5317  0.5995  1
  O  O4  18  0.0951  0.5476  0.8547  1
]