[CIF]
data_TiAl4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16376346
_cell_length_b   5.16376346
_cell_length_c   5.16376346
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl4Si
_chemical_formula_sum   'Ti1 Al4 Si1'
_cell_volume   97.36077508
_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  4.56049257  2.74217175  2.74217175  1
  Al  Al1  1  2.74217175  2.74217175  4.56049257  1
  Al  Al2  1  2.74217175  4.56049257  2.74217175  1
  Al  Al3  1  4.56049257  4.56049257  4.56049257  1
  Si  Si4  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti5  1  1.82566608  1.82566608  1.82566608  1
[/CIF]
