# generated using pymatgen
data_Ti6Al16Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.84985930
_cell_length_b   11.84985930
_cell_length_c   11.84985930
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Al16Fe7
_chemical_formula_sum   'Ti24 Al64 Fe28'
_cell_volume   1663.94735337
_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  0.29223500  0.00000000  0.00000000  1
  Ti  Ti1  1  0.20776500  0.00000000  0.50000000  1
  Ti  Ti2  1  0.00000000  0.79223500  0.50000000  1
  Ti  Ti3  1  0.00000000  0.20776500  0.50000000  1
  Ti  Ti4  1  0.00000000  0.00000000  0.29223500  1
  Ti  Ti5  1  0.00000000  0.00000000  0.70776500  1
  Ti  Ti6  1  0.29223500  0.50000000  0.50000000  1
  Ti  Ti7  1  0.20776500  0.50000000  0.00000000  1
  Ti  Ti8  1  0.00000000  0.29223500  0.00000000  1
  Ti  Ti9  1  0.00000000  0.70776500  0.00000000  1
  Ti  Ti10  1  0.00000000  0.50000000  0.79223500  1
  Ti  Ti11  1  0.00000000  0.50000000  0.20776500  1
  Ti  Ti12  1  0.79223500  0.00000000  0.50000000  1
  Ti  Ti13  1  0.70776500  0.00000000  0.00000000  1
  Ti  Ti14  1  0.50000000  0.79223500  0.00000000  1
  Ti  Ti15  1  0.50000000  0.20776500  0.00000000  1
  Ti  Ti16  1  0.50000000  0.00000000  0.79223500  1
  Ti  Ti17  1  0.50000000  0.00000000  0.20776500  1
  Ti  Ti18  1  0.79223500  0.50000000  0.00000000  1
  Ti  Ti19  1  0.70776500  0.50000000  0.50000000  1
  Ti  Ti20  1  0.50000000  0.29223500  0.50000000  1
  Ti  Ti21  1  0.50000000  0.70776500  0.50000000  1
  Ti  Ti22  1  0.50000000  0.50000000  0.29223500  1
  Ti  Ti23  1  0.50000000  0.50000000  0.70776500  1
  Al  Al24  1  0.34200900  0.84200900  0.84200900  1
  Al  Al25  1  0.15799100  0.15799100  0.65799100  1
  Al  Al26  1  0.15799100  0.15799100  0.34200900  1
  Al  Al27  1  0.15799100  0.84200900  0.65799100  1
  Al  Al28  1  0.34200900  0.84200900  0.15799100  1
  Al  Al29  1  0.34200900  0.15799100  0.84200900  1
  Al  Al30  1  0.34200900  0.15799100  0.15799100  1
  Al  Al31  1  0.15799100  0.84200900  0.34200900  1
  Al  Al32  1  0.11980300  0.61980300  0.61980300  1
  Al  Al33  1  0.38019700  0.38019700  0.88019700  1
  Al  Al34  1  0.38019700  0.88019700  0.61980300  1
  Al  Al35  1  0.38019700  0.61980300  0.88019700  1
  Al  Al36  1  0.11980300  0.11980300  0.88019700  1
  Al  Al37  1  0.11980300  0.38019700  0.61980300  1
  Al  Al38  1  0.11980300  0.88019700  0.88019700  1
  Al  Al39  1  0.38019700  0.11980300  0.61980300  1
  Al  Al40  1  0.34200900  0.34200900  0.34200900  1
  Al  Al41  1  0.15799100  0.65799100  0.15799100  1
  Al  Al42  1  0.15799100  0.65799100  0.84200900  1
  Al  Al43  1  0.15799100  0.34200900  0.15799100  1
  Al  Al44  1  0.34200900  0.34200900  0.65799100  1
  Al  Al45  1  0.34200900  0.65799100  0.34200900  1
  Al  Al46  1  0.34200900  0.65799100  0.65799100  1
  Al  Al47  1  0.15799100  0.34200900  0.84200900  1
  Al  Al48  1  0.11980300  0.11980300  0.11980300  1
  Al  Al49  1  0.38019700  0.88019700  0.38019700  1
  Al  Al50  1  0.38019700  0.38019700  0.11980300  1
  Al  Al51  1  0.38019700  0.11980300  0.38019700  1
  Al  Al52  1  0.11980300  0.61980300  0.38019700  1
  Al  Al53  1  0.11980300  0.88019700  0.11980300  1
  Al  Al54  1  0.11980300  0.38019700  0.38019700  1
  Al  Al55  1  0.38019700  0.61980300  0.11980300  1
  Al  Al56  1  0.84200900  0.84200900  0.34200900  1
  Al  Al57  1  0.65799100  0.15799100  0.15799100  1
  Al  Al58  1  0.65799100  0.15799100  0.84200900  1
  Al  Al59  1  0.65799100  0.84200900  0.15799100  1
  Al  Al60  1  0.84200900  0.84200900  0.65799100  1
  Al  Al61  1  0.84200900  0.15799100  0.34200900  1
  Al  Al62  1  0.84200900  0.15799100  0.65799100  1
  Al  Al63  1  0.65799100  0.84200900  0.84200900  1
  Al  Al64  1  0.61980300  0.61980300  0.11980300  1
  Al  Al65  1  0.88019700  0.38019700  0.38019700  1
  Al  Al66  1  0.88019700  0.88019700  0.11980300  1
  Al  Al67  1  0.88019700  0.61980300  0.38019700  1
  Al  Al68  1  0.61980300  0.11980300  0.38019700  1
  Al  Al69  1  0.61980300  0.38019700  0.11980300  1
  Al  Al70  1  0.61980300  0.88019700  0.38019700  1
  Al  Al71  1  0.88019700  0.11980300  0.11980300  1
  Al  Al72  1  0.84200900  0.34200900  0.84200900  1
  Al  Al73  1  0.65799100  0.65799100  0.65799100  1
  Al  Al74  1  0.65799100  0.65799100  0.34200900  1
  Al  Al75  1  0.65799100  0.34200900  0.65799100  1
  Al  Al76  1  0.84200900  0.34200900  0.15799100  1
  Al  Al77  1  0.84200900  0.65799100  0.84200900  1
  Al  Al78  1  0.84200900  0.65799100  0.15799100  1
  Al  Al79  1  0.65799100  0.34200900  0.34200900  1
  Al  Al80  1  0.61980300  0.11980300  0.61980300  1
  Al  Al81  1  0.88019700  0.88019700  0.88019700  1
  Al  Al82  1  0.88019700  0.38019700  0.61980300  1
  Al  Al83  1  0.88019700  0.11980300  0.88019700  1
  Al  Al84  1  0.61980300  0.61980300  0.88019700  1
  Al  Al85  1  0.61980300  0.88019700  0.61980300  1
  Al  Al86  1  0.61980300  0.38019700  0.88019700  1
  Al  Al87  1  0.88019700  0.61980300  0.61980300  1
  Fe  Fe88  1  0.00000000  0.75000000  0.75000000  1
  Fe  Fe89  1  0.00000000  0.25000000  0.75000000  1
  Fe  Fe90  1  0.25000000  0.00000000  0.25000000  1
  Fe  Fe91  1  0.25000000  0.00000000  0.75000000  1
  Fe  Fe92  1  0.25000000  0.25000000  0.00000000  1
  Fe  Fe93  1  0.25000000  0.75000000  0.00000000  1
  Fe  Fe94  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe95  1  0.00000000  0.25000000  0.25000000  1
  Fe  Fe96  1  0.00000000  0.75000000  0.25000000  1
  Fe  Fe97  1  0.25000000  0.50000000  0.75000000  1
  Fe  Fe98  1  0.25000000  0.50000000  0.25000000  1
  Fe  Fe99  1  0.25000000  0.75000000  0.50000000  1
  Fe  Fe100  1  0.25000000  0.25000000  0.50000000  1
  Fe  Fe101  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe102  1  0.50000000  0.75000000  0.25000000  1
  Fe  Fe103  1  0.50000000  0.25000000  0.25000000  1
  Fe  Fe104  1  0.75000000  0.00000000  0.75000000  1
  Fe  Fe105  1  0.75000000  0.00000000  0.25000000  1
  Fe  Fe106  1  0.75000000  0.25000000  0.50000000  1
  Fe  Fe107  1  0.75000000  0.75000000  0.50000000  1
  Fe  Fe108  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe109  1  0.50000000  0.25000000  0.75000000  1
  Fe  Fe110  1  0.50000000  0.75000000  0.75000000  1
  Fe  Fe111  1  0.75000000  0.50000000  0.25000000  1
  Fe  Fe112  1  0.75000000  0.50000000  0.75000000  1
  Fe  Fe113  1  0.75000000  0.75000000  0.00000000  1
  Fe  Fe114  1  0.75000000  0.25000000  0.00000000  1
  Fe  Fe115  1  0.50000000  0.50000000  0.00000000  1
