# generated using pymatgen
data_Hf5Sc(AlAu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77244580
_cell_length_b   6.77256538
_cell_length_c   8.20928664
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.06097632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Sc(AlAu)6
_chemical_formula_sum   'Hf5 Sc1 Al6 Au6'
_cell_volume   325.88743870
_cell_formula_units_Z   1
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  0.57909007  0.00068204  0.75000000  1.0
  Hf  Hf1  1  0.00078738  0.57914352  0.75000000  1.0
  Hf  Hf2  1  0.42176723  0.42181061  0.75000000  1.0
  Hf  Hf3  1  0.00284358  0.58027635  0.25000000  1.0
  Hf  Hf4  1  0.58034579  0.00291037  0.25000000  1.0
  Sc  Sc5  1  0.42110924  0.42107990  0.25000000  1.0
  Al  Al6  1  0.75155149  0.75155960  0.99868020  1.0
  Al  Al7  1  0.24802013  0.99927606  0.00098349  1.0
  Al  Al8  1  0.99923709  0.24796752  0.00097536  1.0
  Al  Al9  1  0.75155149  0.75155960  0.50131980  1.0
  Al  Al10  1  0.24802013  0.99927606  0.49901651  1.0
  Al  Al11  1  0.99923709  0.24796752  0.49902464  1.0
  Au  Au12  1  0.00136142  0.00135962  0.75000000  1.0
  Au  Au13  1  0.99515199  0.99511876  0.25000000  1.0
  Au  Au14  1  0.66696504  0.33302814  0.99876784  1.0
  Au  Au15  1  0.66696504  0.33302814  0.50123216  1.0
  Au  Au16  1  0.33299891  0.66697658  0.50109732  1.0
  Au  Au17  1  0.33299891  0.66697658  0.99890268  1.0