data_[Hf3Cu24Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8941]
_cell_length_b [4.8941]
_cell_length_c [24.2720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HfCu8Au3]
_chemical_formula_sum '[Hf3 Cu24 Au9]'
_cell_volume [503.4789]
_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
[
  Hf  Hf0  3  0.0000  0.0000  0.1271  1.0
  Cu  Cu1  9  0.0001  0.5000  0.5624  1.0
  Cu  Cu2  9  0.1673  0.3345  0.3952  1.0
  Cu  Cu3  3  0.0000  0.0000  0.3119  1.0
  Cu  Cu4  3  0.0000  0.0000  0.8123  1.0
  Au  Au5  3  0.0000  0.0000  0.0043  1.0
  Au  Au6  3  0.0000  0.0000  0.4983  1.0
  Au  Au7  3  0.0000  0.0000  0.6231  1.0
]