data_[Hf12Ga4Au2]
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 [P2_1/c]
_cell_length_a [5.3496]
_cell_length_b [7.9555]
_cell_length_c [10.0618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Ga2Au]
_chemical_formula_sum '[Hf12 Ga4 Au2]'
_cell_volume [372.8353]
_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  0.0867  0.0246  0.1801  1
  Hf  Hf1  4  0.1298  0.6799  0.0686  1
  Hf  Hf2  4  0.4882  0.1630  0.0755  1
  Ga  Ga3  4  0.3255  0.1334  0.7501  1
  Au  Au4  2  0.5000  0.0000  0.5000  1
]