data_[Ho16Ir8Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.7213]
_cell_length_b [8.7213]
_cell_length_c [8.6081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Ho4Ir2Au]
_chemical_formula_sum '[Ho16 Ir8 Au4]'
_cell_volume [654.7394]
_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  16  0.0693  0.1795  0.3184  1.0
  Ir  Ir1  8  0.1302  0.2500  0.6250  1.0
  Au  Au2  4  0.0000  0.0000  0.0000  1.0
]