# generated using pymatgen
data_Ti2AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14916462
_cell_length_b   6.14916462
_cell_length_c   6.14916462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlFe
_chemical_formula_sum   'Ti8 Al4 Fe4'
_cell_volume   232.51359939
_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  0.00000000  0.00000000  0.00000000  1
  Ti  Ti1  1  0.75000000  0.25000000  0.75000000  1
  Ti  Ti2  1  0.00000000  0.50000000  0.50000000  1
  Ti  Ti3  1  0.75000000  0.75000000  0.25000000  1
  Ti  Ti4  1  0.50000000  0.00000000  0.50000000  1
  Ti  Ti5  1  0.25000000  0.25000000  0.25000000  1
  Ti  Ti6  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti7  1  0.25000000  0.75000000  0.75000000  1
  Al  Al8  1  0.75000000  0.75000000  0.75000000  1
  Al  Al9  1  0.75000000  0.25000000  0.25000000  1
  Al  Al10  1  0.25000000  0.75000000  0.25000000  1
  Al  Al11  1  0.25000000  0.25000000  0.75000000  1
  Fe  Fe12  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe13  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe14  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe15  1  0.50000000  0.50000000  0.50000000  1
