# generated using pymatgen
data_HfAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48386256
_cell_length_b   3.48386256
_cell_length_c   6.32052212
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAu
_chemical_formula_sum   'Hf2 Au2'
_cell_volume   76.71406262
_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  1  0.75000000  0.75000000  0.85157968  1.0
  Hf  Hf1  1  0.25000000  0.25000000  0.14842032  1.0
  Au  Au2  1  0.75000000  0.75000000  0.37143359  1.0
  Au  Au3  1  0.25000000  0.25000000  0.62856641  1.0