data_[Ho16Al4Au2]
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/m]
_cell_length_a [18.4971]
_cell_length_b [5.0098]
_cell_length_c [6.6176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Al2Au]
_chemical_formula_sum '[Ho16 Al4 Au2]'
_cell_volume [598.7073]
_cell_formula_units_Z [2]
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  0.0229  0.0000  0.7709  1.0
  Ho  Ho1  4  0.0942  0.5000  0.4623  1.0
  Ho  Ho2  4  0.1548  0.5000  0.9744  1.0
  Ho  Ho3  4  0.2100  0.0000  0.3065  1.0
  Al  Al4  4  0.1883  0.0000  0.7526  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]