data_Ti(AlSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   16.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(AlSi2)2
_chemical_formula_sum   'Ti1 Al2 Si4'
_cell_volume   110.29
_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
  Ti  Ti6  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.62  0.49  1.0
  Al  Al1  1  0.4  0.81  0.67  1.0
  Si  Si2  1  0.0  0.62  0.97  1.0
  Si  Si3  1  0.4  0.81  0.19  1.0
  Si  Si4  1  0.0  0.62  0.05  1.0
  Si  Si5  1  0.4  0.81  0.11  1.0

data_Ti(AlSi2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   16.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(AlSi2)2
_chemical_formula_sum   'Ti1 Al2 Si4'
_cell_volume   110.29
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.62  0.49  1.0
  Al  Al2  1  0.4  0.81  0.67  1.0
  Si  Si3  1  0.0  0.62  0.05  1.0
  Si  Si4  1  0.0  0.62  0.97  1.0
  Si  Si5  1  0.4  0.81  0.11  1.0
  Si  Si6  1  0.4  0.81  0.19  1.0

Ti Al Al Si Si Si Si