# generated using pymatgen
data_Ti2NbAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63508298
_cell_length_b   5.63508298
_cell_length_c   4.67083764
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.93096969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbAl
_chemical_formula_sum   'Ti4 Nb2 Al2'
_cell_volume   134.49765806
_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  0.86179511  0.66681739  0.75000000  1.0
  Ti  Ti1  1  0.66681739  0.86179511  0.25000000  1.0
  Ti  Ti2  1  0.13820489  0.33318261  0.25000000  1.0
  Ti  Ti3  1  0.33318261  0.13820489  0.75000000  1.0
  Nb  Nb4  1  0.36140848  0.63859152  0.75000000  1.0
  Nb  Nb5  1  0.63859152  0.36140848  0.25000000  1.0
  Al  Al6  1  0.83679527  0.16320473  0.75000000  1.0
  Al  Al7  1  0.16320473  0.83679527  0.25000000  1.0