data_[Dy4Th2Cu18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2205]
_cell_length_b [5.2205]
_cell_length_c [16.5856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Dy2ThCu9]
_chemical_formula_sum '[Dy4 Th2 Cu18]'
_cell_volume [391.4605]
_cell_formula_units_Z [2]
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  4  0.3333  0.6667  0.5364  1
  Th  Th1  2  0.3333  0.6667  0.7500  1
  Cu  Cu2  12  0.1668  0.3336  0.1265  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  Cu  Cu4  2  0.0000  0.0000  0.2500  1
  Cu  Cu5  2  0.3333  0.6667  0.2500  1
]