data_[Tm1Pu2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8067]
_cell_length_b [3.8067]
_cell_length_c [9.0623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TmPu2O6]
_chemical_formula_sum '[Tm1 Pu2 O6]'
_cell_volume [113.7295]
_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
[
  Tm  Tm0  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  2  0.3333  0.6667  0.6692  1
  O  O2  2  0.0000  0.0000  0.2595  1
  O  O3  2  0.3333  0.6667  0.9077  1
  O  O4  2  0.3333  0.6667  0.4165  1
]