[CIF]
data_TiAlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34173096
_cell_length_b   3.86675513
_cell_length_c   8.68051143
_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   179.29740102
_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  1.85666934  0.96668878  6.75934472  1
  Al  Al1  1  0.81419614  2.90006635  2.41908901  1
  Al  Al2  1  3.48506162  2.90006635  1.92116671  1
  Al  Al3  1  4.52753482  0.96668878  6.26142242  1
  Si  Si4  1  4.63677893  0.96668878  0.54564818  1
  Si  Si5  1  3.37581751  2.90006635  4.88590390  1
  Si  Si6  1  0.70495203  2.90006635  8.13486325  1
  Si  Si7  1  1.96591345  0.96668878  3.79460753  1
  Ti  Ti8  1  4.62930275  0.96668878  3.36089212  1
  Ti  Ti9  1  3.38329369  2.90006635  7.70114783  1
  Ti  Ti10  1  0.71242821  2.90006635  5.31961931  1
  Ti  Ti11  1  1.95843727  0.96668878  0.97936360  1
[/CIF]
