[CIF]
data_TiAlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62090462
_cell_length_b   3.46637547
_cell_length_c   8.36605774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlSi
_chemical_formula_sum   'Ti4 Al4 Si4'
_cell_volume   192.00555422
_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
  Al  Al0  1  3.00178097  0.86659387  6.80887003  1
  Al  Al1  1  0.30867134  2.59978160  2.62584116  1
  Al  Al2  1  3.61912365  2.59978160  1.55718771  1
  Al  Al3  1  6.31223328  0.86659387  5.74021658  1
  Si  Si4  1  5.07307086  0.86659387  3.30253693  1
  Si  Si5  1  4.85828607  2.59978160  7.48556580  1
  Si  Si6  1  1.54783376  2.59978160  5.06352081  1
  Si  Si7  1  1.76261855  0.86659387  0.88049194  1
  Ti  Ti8  1  5.77024676  0.86659387  0.80765461  1
  Ti  Ti9  1  4.16111017  2.59978160  4.99068348  1
  Ti  Ti10  1  0.85065786  2.59978160  7.55840313  1
  Ti  Ti11  1  2.45979445  0.86659387  3.37537426  1
[/CIF]
