data_[Tb45Dy6Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.0898]
_cell_length_b [11.0898]
_cell_length_c [17.8914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb15(DyTh)2]
_chemical_formula_sum '[Tb45 Dy6 Th6]'
_cell_volume [1905.5488]
_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
[
  Tb  Tb0  18  0.0000  0.2997  0.0000  1
  Tb  Tb1  18  0.0140  0.5070  0.1348  1
  Tb  Tb2  9  0.0000  0.5000  0.5000  1
  Dy  Dy3  6  0.0000  0.0000  0.3159  1
  Th  Th4  6  0.0000  0.0000  0.0871  1
]