data_SrScAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   31.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScAl2
_chemical_formula_sum   'Sr1 Sc1 Al2'
_cell_volume   102.35
_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
  Sr  Sr3  1  0.23  0.0  0.48  1.0
  Sc  Sc2  1  0.0  0.0  0.32  1.0
  Al  Al0  1  0.0  0.0  0.64  1.0
  Al  Al1  1  0.23  0.0  0.16  1.0

data_SrScAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.47
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScAl2
_chemical_formula_sum   'Sr1 Sc1 Al2'
_cell_volume   102.35
_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
  Sr  Sr0  1  0.52  0.23  0.52  1.0
  Sc  Sc1  1  0.68  0.0  0.68  1.0
  Al  Al2  1  0.36  0.0  0.36  1.0
  Al  Al3  1  0.84  0.23  0.84  1.0

Sr Sc Al Al