data_[Ho4Al16Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.1240]
_cell_length_b [4.2532]
_cell_length_c [6.6237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ho(Al2Ir)2]
_chemical_formula_sum '[Ho4 Al16 Ir8]'
_cell_volume [482.4105]
_cell_formula_units_Z [4]
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
[
  Ho  Ho0  4  0.1402  0.7500  0.5212  1
  Al  Al1  4  0.0329  0.2500  0.3496  1
  Al  Al2  4  0.0693  0.7500  0.9936  1
  Al  Al3  4  0.1870  0.2500  0.8292  1
  Al  Al4  4  0.1941  0.2500  0.2334  1
  Ir  Ir5  4  0.0390  0.2500  0.7437  1
  Ir  Ir6  4  0.2157  0.7500  0.0340  1
]