data_[Nd18Dy24Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.1372]
_cell_length_b [9.1372]
_cell_length_c [20.9132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd6Dy8Th]
_chemical_formula_sum '[Nd18 Dy24 Th3]'
_cell_volume [1512.0950]
_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
[
  Nd  Nd0  18  0.0598  0.8117  0.7105  1
  Dy  Dy1  18  0.0814  0.5209  0.8055  1
  Dy  Dy2  6  0.0000  0.0000  0.4230  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]