# generated using pymatgen
data_Ti2Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11879100
_cell_length_b   6.11879100
_cell_length_c   10.29645148
_cell_angle_alpha   107.28537181
_cell_angle_beta   107.28537181
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Al3
_chemical_formula_sum   'Ti8 Al12'
_cell_volume   349.80914601
_cell_formula_units_Z   4
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  0.29235000  0.52408800  0.58470100  1.0
  Ti  Ti1  1  0.29235000  0.06061200  0.58470100  1.0
  Ti  Ti2  1  0.31061200  0.04235000  0.08470100  1.0
  Ti  Ti3  1  0.95765000  0.68938800  0.91529900  1.0
  Ti  Ti4  1  0.95765000  0.22591200  0.91529900  1.0
  Ti  Ti5  1  0.77408800  0.04235000  0.08470100  1.0
  Ti  Ti6  1  0.93938800  0.70765000  0.41529900  1.0
  Ti  Ti7  1  0.47591200  0.70765000  0.41529900  1.0
  Al  Al8  1  0.80104400  0.07721200  0.60208900  1.0
  Al  Al9  1  0.80104400  0.52487700  0.60208900  1.0
  Al  Al10  1  0.77487700  0.55104400  0.10208900  1.0
  Al  Al11  1  0.44895600  0.22512300  0.89791100  1.0
  Al  Al12  1  0.44895600  0.67278800  0.89791100  1.0
  Al  Al13  1  0.32721200  0.55104400  0.10208900  1.0
  Al  Al14  1  0.47512300  0.19895600  0.39791100  1.0
  Al  Al15  1  0.92278800  0.19895600  0.39791100  1.0
  Al  Al16  1  0.12500000  0.37500000  0.25000000  1.0
  Al  Al17  1  0.12500000  0.87500000  0.25000000  1.0
  Al  Al18  1  0.12500000  0.87500000  0.75000000  1.0
  Al  Al19  1  0.62500000  0.87500000  0.75000000  1.0