data_[Dy6Ir12Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6181]
_cell_length_b [5.6181]
_cell_length_c [20.8505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [DyIr2Rh3]
_chemical_formula_sum '[Dy6 Ir12 Rh18]'
_cell_volume [569.9331]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.2179  1.0
  Ir  Ir1  9  0.0000  0.5000  0.0000  1.0
  Ir  Ir2  3  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  18  0.0075  0.5037  0.2271  1.0
]