# generated using pymatgen
data_Ti3Al2AuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22057103
_cell_length_b   8.22057107
_cell_length_c   8.22057165
_cell_angle_alpha   60.00000161
_cell_angle_beta   60.00000145
_cell_angle_gamma   59.99999884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2AuN
_chemical_formula_sum   'Ti12 Al8 Au4 N4'
_cell_volume   392.81765748
_cell_formula_units_Z   4
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  0.82206995  0.82206995  0.17793005  1.0
  Ti  Ti1  1  0.07206995  0.42793005  0.42793005  1.0
  Ti  Ti2  1  0.42793005  0.07206995  0.07206995  1.0
  Ti  Ti3  1  0.07206995  0.07206995  0.42793005  1.0
  Ti  Ti4  1  0.07206995  0.42793005  0.07206995  1.0
  Ti  Ti5  1  0.42793005  0.07206995  0.42793005  1.0
  Ti  Ti6  1  0.17793005  0.82206995  0.17793005  1.0
  Ti  Ti7  1  0.17793005  0.82206995  0.82206995  1.0
  Ti  Ti8  1  0.82206995  0.17793005  0.17793005  1.0
  Ti  Ti9  1  0.82206995  0.17793005  0.82206995  1.0
  Ti  Ti10  1  0.42793005  0.42793005  0.07206995  1.0
  Ti  Ti11  1  0.17793005  0.17793005  0.82206995  1.0
  Al  Al12  1  0.41417370  0.75747689  0.41417370  1.0
  Al  Al13  1  0.83582630  0.83582630  0.49252311  1.0
  Al  Al14  1  0.49252311  0.83582630  0.83582630  1.0
  Al  Al15  1  0.83582630  0.83582630  0.83582630  1.0
  Al  Al16  1  0.75747689  0.41417370  0.41417370  1.0
  Al  Al17  1  0.41417370  0.41417370  0.41417370  1.0
  Al  Al18  1  0.41417370  0.41417370  0.75747689  1.0
  Al  Al19  1  0.83582630  0.49252311  0.83582630  1.0
  Au  Au20  1  0.62500000  0.12500000  0.62500000  1.0
  Au  Au21  1  0.62500000  0.62500000  0.12500000  1.0
  Au  Au22  1  0.12500000  0.62500000  0.62500000  1.0
  Au  Au23  1  0.62500000  0.62500000  0.62500000  1.0
  N  N24  1  0.12500000  0.62500000  0.12500000  1.0
  N  N25  1  0.12500000  0.12500000  0.62500000  1.0
  N  N26  1  0.62500000  0.12500000  0.12500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0