data_Ti4Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38
_cell_length_b   10.38
_cell_length_c   10.38
_cell_angle_alpha   164.06
_cell_angle_beta   157.38
_cell_angle_gamma   27.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Al3
_chemical_formula_sum   'Ti4 Al3'
_cell_volume   117.98
_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  Ti3  1  0.0  0.0  0.88  1.0
  Ti  Ti4  1  0.0  0.0  0.51  1.0
  Ti  Ti5  1  0.0  0.0  0.63  1.0
  Ti  Ti6  1  0.0  0.0  0.27  1.0
  Al  Al0  1  0.0  0.0  0.76  1.0
  Al  Al1  1  0.0  0.0  0.39  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0

data_Ti4Al3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.07
_cell_length_c   10.38
_cell_angle_alpha   101.31
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Al3
_chemical_formula_sum   'Ti4 Al3'
_cell_volume   117.98
_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  0.27  0.27  1.0
  Ti  Ti1  1  0.0  0.51  0.51  1.0
  Ti  Ti2  1  0.0  0.63  0.63  1.0
  Ti  Ti3  1  0.0  0.88  0.88  1.0
  Al  Al4  1  0.0  0.0  0.0  1.0
  Al  Al5  1  0.0  0.39  0.39  1.0
  Al  Al6  1  0.0  0.76  0.76  1.0

Ti Ti Ti Ti Al Al Al