data_[Ho32Hg8Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.4684]
_cell_length_b [13.5678]
_cell_length_c [8.7199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ho4HgIr2]
_chemical_formula_sum '[Ho32 Hg8 Ir16]'
_cell_volume [1356.8378]
_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  16  0.0648  0.1055  0.0818  1.0
  Ho  Ho1  16  0.1106  0.2063  0.6790  1.0
  Hg  Hg2  8  0.0000  0.0000  0.7364  1.0
  Ir  Ir3  16  0.0589  0.1777  0.3719  1.0
]