data_[Ho8Al12Au36]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7104]
_cell_length_b [7.8983]
_cell_length_c [10.8322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho2(AlAu3)3]
_chemical_formula_sum '[Ho8 Al12 Au36]'
_cell_volume [1060.4451]
_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  8  0.1678  0.4169  0.2473  1
  Al  Al1  8  0.0861  0.2614  0.4984  1
  Al  Al2  4  0.2500  0.2500  0.0000  1
  Au  Au3  8  0.0600  0.4189  0.9273  1
  Au  Au4  8  0.1104  0.9108  0.5742  1
  Au  Au5  8  0.1142  0.1962  0.7452  1
  Au  Au6  8  0.2276  0.0826  0.4344  1
  Au  Au7  4  0.0000  0.1494  0.2500  1
]