data_[Dy3Al18Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.0437]
_cell_length_b [12.0437]
_cell_length_c [8.6023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Dy(AlAu2)6]
_chemical_formula_sum '[Dy3 Al18 Au36]'
_cell_volume [1080.6023]
_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  0.0000  1.0
  Al  Al1  18  0.0609  0.5304  0.2469  1.0
  Au  Au2  18  0.0000  0.3804  0.5000  1.0
  Au  Au3  18  0.0820  0.1640  0.2911  1.0
]