data_[Ho36Ni18Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.7483]
_cell_length_b [12.7483]
_cell_length_c [10.4350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho12Ni6Au]
_chemical_formula_sum '[Ho36 Ni18 Au3]'
_cell_volume [1468.6719]
_cell_formula_units_Z [3]
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  18  0.0320  0.2087  0.3803  1
  Ho  Ho1  18  0.0347  0.2195  0.8873  1
  Ni  Ni2  18  0.0446  0.2585  0.6418  1
  Au  Au3  3  0.0000  0.0000  0.0000  1
]