data_[Ho8Ga20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.0868]
_cell_length_b [11.8953]
_cell_length_c [6.0215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ho2Ga5Au3]
_chemical_formula_sum '[Ho8 Ga20 Au12]'
_cell_volume [794.1221]
_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  0.2474  0.3763  0.5000  1.0
  Ga  Ga1  8  0.0000  0.2437  0.2500  1.0
  Ga  Ga2  8  0.1415  0.1219  0.5000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2500  1.0
  Au  Au4  8  0.1357  0.3705  0.0000  1.0
  Au  Au5  4  0.0000  0.0000  0.2500  1.0
]