data_ScTiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiAl2
_chemical_formula_sum   'Sc1 Ti1 Al2'
_cell_volume   71.03
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.93  0.0  0.0  1.0
  Al  Al0  1  0.46  0.93  0.46  1.0
  Al  Al1  1  0.46  0.07  0.46  1.0

data_ScTiAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   109.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiAl2
_chemical_formula_sum   'Sc1 Ti1 Al2'
_cell_volume   71.03
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.93  0.0  1.0
  Al  Al2  1  0.46  0.46  0.07  1.0
  Al  Al3  1  0.46  0.46  0.93  1.0

Sc Ti Al Al
Sc Ti Al Al 0 1 - o o 2 3 o + o 