data_[Dy36Ni3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6146]
_cell_length_b [12.6146]
_cell_length_c [12.0310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy12NiAu6]
_chemical_formula_sum '[Dy36 Ni3 Au18]'
_cell_volume [1657.9899]
_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  18  0.0311  0.2146  0.3965  1
  Dy  Dy1  18  0.0492  0.1997  0.8857  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0493  0.2709  0.6460  1
]