data_[Dy3Pu6Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5025]
_cell_length_b [3.5025]
_cell_length_c [33.2938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyPu2Th]
_chemical_formula_sum '[Dy3 Pu6 Th3]'
_cell_volume [353.7139]
_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
[
  Dy  Dy0  3  0.0000  0.0000  0.4997  1
  Pu  Pu1  3  0.0000  0.0000  0.7489  1
  Pu  Pu2  3  0.0000  0.0000  0.9177  1
  Th  Th3  3  0.0000  0.0000  0.3337  1
]