data_[Hf12Sn4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.4484]
_cell_length_b [9.4484]
_cell_length_c [4.3608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Hf6Sn2Au]
_chemical_formula_sum '[Hf12 Sn4 Au2]'
_cell_volume [389.2995]
_cell_formula_units_Z [2]
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  8  0.0163  0.3330  0.5000  1.0
  Hf  Hf1  4  0.1435  0.8565  0.0000  1.0
  Sn  Sn2  4  0.1928  0.1928  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.5000  1.0
]