# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83967700
_cell_length_b   4.68126400
_cell_length_c   4.90074200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl3
_chemical_formula_sum   'Ti1 Al3'
_cell_volume   65.14692440
_cell_formula_units_Z   1
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  0.00000000  0.50000000  0.16591600  1.0
  Al  Al1  1  0.50000000  0.50000000  0.66727100  1.0
  Al  Al2  1  0.50000000  0.00000000  0.33091200  1.0
  Al  Al3  1  0.00000000  0.00000000  0.83590000  1.0