data_[Hf20Co8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.0560]
_cell_length_b [6.6691]
_cell_length_c [6.7392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Hf5(CoAu)2]
_chemical_formula_sum '[Hf20 Co8 Au8]'
_cell_volume [676.6807]
_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
[
  Hf  Hf0  16  0.1233  0.1750  0.3268  1
  Hf  Hf1  4  0.0000  0.0000  0.0000  1
  Co  Co2  8  0.0000  0.1325  0.6352  1
  Au  Au3  8  0.2182  0.0000  0.0000  1
]