data_[Ho24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [11.6229]
_cell_length_b [11.6229]
_cell_length_c [6.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ho3Ir]
_chemical_formula_sum '[Ho24 Ir8]'
_cell_volume [823.2332]
_cell_formula_units_Z [8]
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  8  0.0000  0.3581  0.5000  1.0
  Ho  Ho1  8  0.0953  0.0953  0.7542  1.0
  Ho  Ho2  8  0.2035  0.2035  0.1962  1.0
  Ir  Ir3  8  0.0000  0.2919  0.0000  1.0
]