data_[Dy12Y24Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9201]
_cell_length_b [6.9201]
_cell_length_c [31.7468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Dy4Y8Th]
_chemical_formula_sum '[Dy12 Y24 Th3]'
_cell_volume [1316.5905]
_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  18  0.0076  0.5038  0.7551  1
  Dy  Dy1  9  0.0000  0.5000  0.0000  1
  Y  Y2  6  0.0000  0.0000  0.8003  1
  Dy  Dy3  3  0.0000  0.0000  0.0000  1
  Th  Th4  3  -0.0000  -0.0000  0.5000  1
]