[CIF]
data_TiAl2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16841843
_cell_length_b   5.16841843
_cell_length_c   2.82557780
_cell_angle_alpha   99.60324966
_cell_angle_beta   99.60324966
_cell_angle_gamma   118.80372250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2Si
_chemical_formula_sum   'Ti1 Al2 Si1'
_cell_volume   62.48678488
_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
  Al  Al0  1  0.85236816  -2.22438021  1.33475711  1
  Al  Al1  1  0.85236816  2.22438021  1.33475711  1
  Si  Si2  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti3  1  2.63079452  -0.00000000  0.00000000  1
[/CIF]
