# generated using pymatgen
data_HfAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83517877
_cell_length_b   4.91211534
_cell_length_c   6.02945514
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAu3
_chemical_formula_sum   'Hf2 Au6'
_cell_volume   143.20532258
_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  0.34028004  0.75000000  1.0
  Hf  Hf1  1  0.25000000  0.65971996  0.25000000  1.0
  Au  Au2  1  0.75000000  0.83682834  0.00188967  1.0
  Au  Au3  1  0.75000000  0.83682834  0.49811033  1.0
  Au  Au4  1  0.25000000  0.16317166  0.99811033  1.0
  Au  Au5  1  0.25000000  0.16317166  0.50188967  1.0
  Au  Au6  1  0.25000000  0.65405947  0.75000000  1.0
  Au  Au7  1  0.75000000  0.34594053  0.25000000  1.0