# generated using pymatgen
data_Ti13Al9(Fe3Au)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56460284
_cell_length_b   8.62008758
_cell_length_c   8.56460226
_cell_angle_alpha   59.58961470
_cell_angle_beta   59.92833934
_cell_angle_gamma   59.58962899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti13Al9(Fe3Au)2
_chemical_formula_sum   'Ti13 Al9 Fe6 Au2'
_cell_volume   444.07508780
_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
  Ti  Ti0  1  0.20888996  0.20874412  0.79225417  1.0
  Ti  Ti1  1  0.79225417  0.20874412  0.20888996  1.0
  Ti  Ti2  1  0.20787109  0.79418342  0.20787109  1.0
  Ti  Ti3  1  0.80885218  0.80088076  0.17619440  1.0
  Ti  Ti4  1  0.17619440  0.80088076  0.80885218  1.0
  Ti  Ti5  1  0.80103045  0.18947987  0.80103045  1.0
  Ti  Ti6  1  0.37937087  0.38534033  0.37937087  1.0
  Ti  Ti7  1  0.39497701  0.84986892  0.39497701  1.0
  Ti  Ti8  1  0.85779068  0.39930250  0.37597642  1.0
  Ti  Ti9  1  0.37597642  0.39930250  0.85779068  1.0
  Ti  Ti10  1  0.84474052  0.46701421  0.84474052  1.0
  Ti  Ti11  1  0.46649103  0.83322288  0.83560232  1.0
  Ti  Ti12  1  0.83560232  0.83322288  0.46649103  1.0
  Al  Al13  1  0.14850458  0.17271450  0.14850458  1.0
  Al  Al14  1  0.16528096  0.51777799  0.16528096  1.0
  Al  Al15  1  0.52327323  0.16777597  0.16816300  1.0
  Al  Al16  1  0.16816300  0.16777597  0.52327323  1.0
  Al  Al17  1  0.62383453  0.60803917  0.62383453  1.0
  Al  Al18  1  0.61215561  0.14627878  0.61215561  1.0
  Al  Al19  1  0.14572384  0.60792456  0.62107519  1.0
  Al  Al20  1  0.62107519  0.60792456  0.14572384  1.0
  Al  Al21  1  0.82799014  0.81583271  0.82799014  1.0
  Fe  Fe22  1  0.00392619  0.50479522  0.00392619  1.0
  Fe  Fe23  1  0.50100126  0.50104596  0.99907353  1.0
  Fe  Fe24  1  0.99907353  0.50104596  0.50100126  1.0
  Fe  Fe25  1  0.50185258  0.99281779  0.50185258  1.0
  Fe  Fe26  1  0.50108387  0.49990835  0.50108387  1.0
  Fe  Fe27  1  0.00393316  0.00763208  0.00393316  1.0
  Au  Au28  1  0.00439772  0.00526008  0.49868951  1.0
  Au  Au29  1  0.49868951  0.00526008  0.00439772  1.0