data_[Ho16Cd4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.4903]
_cell_length_b [14.8074]
_cell_length_c [6.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ho4CdIr2]
_chemical_formula_sum '[Ho16 Cd4 Ir8]'
_cell_volume [681.5240]
_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  0.1597  0.7115  0.2264  1.0
  Ho  Ho1  4  0.4229  0.4307  0.2526  1.0
  Ho  Ho2  4  0.4315  0.0041  0.9522  1.0
  Ho  Ho3  4  0.4991  0.2279  0.5796  1.0
  Cd  Cd4  4  0.0999  0.1167  0.4401  1.0
  Ir  Ir5  4  0.2173  0.4072  0.4399  1.0
  Ir  Ir6  4  0.2950  0.1525  0.1100  1.0
]