# generated using pymatgen
data_Ti3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74770194
_cell_length_b   5.74769387
_cell_length_c   4.63054727
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00047783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al
_chemical_formula_sum   'Ti6 Al2'
_cell_volume   132.47951529
_cell_formula_units_Z   2
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  0.82990567  0.65979326  0.25000000  1.0
  Ti  Ti1  1  0.17010809  0.82989598  0.75000000  1.0
  Ti  Ti2  1  0.65979178  0.82990528  0.75000000  1.0
  Ti  Ti3  1  0.34020565  0.17009363  0.25000000  1.0
  Ti  Ti4  1  0.82989468  0.17010531  0.25000000  1.0
  Ti  Ti5  1  0.17009672  0.34020729  0.75000000  1.0
  Al  Al6  1  0.33333460  0.66665870  0.25000000  1.0
  Al  Al7  1  0.66666282  0.33333954  0.75000000  1.0