# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77005762
_cell_length_b   3.99481029
_cell_length_c   51.63551617
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti24 Al48'
_cell_volume   2427.85794309
_cell_formula_units_Z   24
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  Ti1  1  0.670574  0.003494  0.323056  1
  Ti  Ti2  1  0.836761  0.003494  0.285486  1
  Ti  Ti3  1  0.170226  0.003494  0.285486  1
  Ti  Ti4  1  0.336413  0.003494  0.323056  1
  Ti  Ti5  1  0.670227  0.003494  0.400250  1
  Ti  Ti6  1  0.835958  0.003494  0.361955  1
  Ti  Ti7  1  0.171029  0.003494  0.361955  1
  Ti  Ti8  1  0.336760  0.003494  0.400250  1
  Ti  Ti9  1  0.670511  0.003494  0.477336  1
  Ti  Ti10  1  0.836338  0.003494  0.438860  1
  Ti  Ti11  1  0.170649  0.003494  0.438860  1
  Ti  Ti12  1  0.336476  0.003494  0.477336  1
  Ti  Ti13  1  0.670649  0.003494  0.554346  1
  Ti  Ti14  1  0.836476  0.003494  0.515870  1
  Ti  Ti15  1  0.170511  0.003494  0.515870  1
  Ti  Ti16  1  0.336338  0.003494  0.554346  1
  Ti  Ti17  1  0.671029  0.003494  0.631251  1
  Ti  Ti18  1  0.836760  0.003494  0.592957  1
  Ti  Ti19  1  0.170227  0.003494  0.592957  1
  Ti  Ti20  1  0.335958  0.003494  0.631251  1
  Ti  Ti21  1  0.670226  0.003494  0.707721  1
  Ti  Ti22  1  0.836413  0.003494  0.670151  1
  Ti  Ti23  1  0.170574  0.003494  0.670151  1
  Ti  Ti24  1  0.336761  0.003494  0.707721  1
  Al  Al25  1  0.003493  0.003494  0.323735  1
  Al  Al26  1  0.003493  0.503494  0.284791  1
  Al  Al27  1  0.837893  0.503494  0.323661  1
  Al  Al28  1  0.671104  0.503494  0.285314  1
  Al  Al29  1  0.503493  0.003494  0.285936  1
  Al  Al30  1  0.503493  0.503494  0.323066  1
  Al  Al31  1  0.335883  0.503494  0.285314  1
  Al  Al32  1  0.169093  0.503494  0.323661  1
  Al  Al33  1  0.003493  0.003494  0.400383  1
  Al  Al34  1  0.003493  0.503494  0.362036  1
  Al  Al35  1  0.837227  0.503494  0.400392  1
  Al  Al36  1  0.669016  0.503494  0.361658  1
  Al  Al37  1  0.503493  0.003494  0.361588  1
  Al  Al38  1  0.503493  0.503494  0.400242  1
  Al  Al39  1  0.337971  0.503494  0.361658  1
  Al  Al40  1  0.169759  0.503494  0.400392  1
  Al  Al41  1  0.003493  0.003494  0.477351  1
  Al  Al42  1  0.003493  0.503494  0.438856  1
  Al  Al43  1  0.837507  0.503494  0.477358  1
  Al  Al44  1  0.669324  0.503494  0.438806  1
  Al  Al45  1  0.503493  0.003494  0.438819  1
  Al  Al46  1  0.503493  0.503494  0.477341  1
  Al  Al47  1  0.337663  0.503494  0.438806  1
  Al  Al48  1  0.169480  0.503494  0.477358  1
  Al  Al49  1  0.003493  0.003494  0.554388  1
  Al  Al50  1  0.003493  0.503494  0.515865  1
  Al  Al51  1  0.837663  0.503494  0.554400  1
  Al  Al52  1  0.669480  0.503494  0.515848  1
  Al  Al53  1  0.503493  0.003494  0.515855  1
  Al  Al54  1  0.503493  0.503494  0.554351  1
  Al  Al55  1  0.337507  0.503494  0.515848  1
  Al  Al56  1  0.169324  0.503494  0.554400  1
  Al  Al57  1  0.003493  0.003494  0.631619  1
  Al  Al58  1  0.003493  0.503494  0.592965  1
  Al  Al59  1  0.837971  0.503494  0.631549  1
  Al  Al60  1  0.669759  0.503494  0.592814  1
  Al  Al61  1  0.503493  0.003494  0.592824  1
  Al  Al62  1  0.503493  0.503494  0.631171  1
  Al  Al63  1  0.337227  0.503494  0.592814  1
  Al  Al64  1  0.169016  0.503494  0.631549  1
  Al  Al65  1  0.003493  0.003494  0.707270  1
  Al  Al66  1  0.003493  0.503494  0.670141  1
  Al  Al67  1  0.835883  0.503494  0.707893  1
  Al  Al68  1  0.669093  0.503494  0.669545  1
  Al  Al69  1  0.503493  0.003494  0.669472  1
  Al  Al70  1  0.503493  0.503494  0.708415  1
  Al  Al71  1  0.337893  0.503494  0.669545  1
  Al  Al72  1  0.171104  0.503494  0.707893  1
