data_[Hf4Ga16Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2579]
_cell_length_b [3.9434]
_cell_length_c [5.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Ga8Au]
_chemical_formula_sum '[Hf4 Ga16 Au2]'
_cell_volume [410.9181]
_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  4  0.1988  0.0000  0.5974  1
  Ga  Ga1  4  0.0377  0.0000  0.3332  1
  Ga  Ga2  4  0.1117  0.5000  0.7805  1
  Ga  Ga3  4  0.1348  0.5000  0.2770  1
  Ga  Ga4  4  0.2104  0.0000  0.0927  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]