data_[Dy2Cu12Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1751]
_cell_length_b [8.9369]
_cell_length_c [9.0210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Dy(CuAu)6]
_chemical_formula_sum '[Dy2 Cu12 Au12]'
_cell_volume [417.2135]
_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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  8  0.2500  0.2500  0.2500  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2626  1.0
  Au  Au3  4  0.0000  0.0000  0.3355  1.0
  Au  Au4  4  0.0000  0.3164  0.5000  1.0
  Au  Au5  4  0.0000  0.3405  0.0000  1.0
]