data_[Hf4Si4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8164]
_cell_length_b [3.9407]
_cell_length_c [6.6603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfSiAu]
_chemical_formula_sum '[Hf4 Si4 Au4]'
_cell_volume [208.0860]
_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  4  0.0740  0.0000  0.3322  1.0
  Si  Si1  4  0.1433  0.5000  0.6709  1.0
  Au  Au2  4  0.1685  0.5000  0.0827  1.0
]