data_TiAlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   143.06
_cell_angle_beta   139.03
_cell_angle_gamma   56.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlSb
_chemical_formula_sum   'Ti1 Al1 Sb1'
_cell_volume   56.05
_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  Ti2  1  0.0  0.0  0.13  1.0
  Al  Al0  1  0.0  0.0  0.14  1.0
  Sb  Sb1  1  0.0  0.0  0.19  1.0

data_TiAlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.66
_cell_length_c   5.23
_cell_angle_alpha   110.49
_cell_angle_beta   108.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlSb
_chemical_formula_sum   'Ti1 Al1 Sb1'
_cell_volume   56.05
_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  0.13  0.13  1.0
  Al  Al1  1  0.0  0.14  0.14  1.0
  Sb  Sb2  1  0.0  0.19  0.19  1.0

Ti Al Sb