data_[Dy6Al18Ir12]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4469]
_cell_length_b [4.1178]
_cell_length_c [9.8608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyAl3Ir2]
_chemical_formula_sum '[Dy6 Al18 Ir12]'
_cell_volume [640.3031]
_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  4  0.1631  0.0000  0.7101  1
  Dy  Dy1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0443  0.0000  0.3414  1
  Al  Al3  4  0.1237  0.5000  0.2043  1
  Al  Al4  4  0.1777  0.5000  0.9652  1
  Al  Al5  4  0.2147  0.0000  0.3950  1
  Al  Al6  2  0.0000  0.5000  0.5000  1
  Ir  Ir7  4  0.0317  0.5000  0.7771  1
  Ir  Ir8  4  0.1372  0.5000  0.4598  1
  Ir  Ir9  4  0.1892  0.0000  0.1269  1
]