# generated using pymatgen
data_Ti3Al5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90101378
_cell_length_b   4.01393894
_cell_length_c   8.08329050
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al5
_chemical_formula_sum   'Ti3 Al5'
_cell_volume   126.57164749
_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  0.26506523  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.73493477  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.00000000  1.0
  Al  Al3  1  0.00000000  0.00000000  -0.00000000  1.0
  Al  Al4  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al6  1  0.50000000  -0.00000000  0.24223368  1.0
  Al  Al7  1  0.50000000  -0.00000000  0.75776632  1.0