data_Sr3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75
_cell_length_b   21.42
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Al
_chemical_formula_sum   'Sr18 Al6'
_cell_volume   1043.85
_cell_formula_units_Z   6
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  Sr6  1  0.2  0.01  0.39  1.0
  Sr  Sr7  1  0.2  0.42  0.39  1.0
  Sr  Sr8  1  0.54  0.71  0.98  1.0
  Sr  Sr9  1  0.83  0.0  0.59  1.0
  Sr  Sr10  1  0.18  0.72  0.18  1.0
  Sr  Sr11  1  0.18  0.7  0.18  1.0
  Sr  Sr12  1  0.37  0.0  0.38  1.0
  Sr  Sr13  1  0.37  0.93  0.89  1.0
  Sr  Sr14  1  0.37  0.49  0.89  1.0
  Sr  Sr15  1  0.55  0.01  0.39  1.0
  Sr  Sr16  1  0.55  0.42  0.39  1.0
  Sr  Sr17  1  0.21  0.71  0.98  1.0
  Sr  Sr18  1  0.91  0.0  0.59  1.0
  Sr  Sr19  1  0.57  0.72  0.18  1.0
  Sr  Sr20  1  0.57  0.7  0.18  1.0
  Sr  Sr21  1  0.0  0.71  0.19  1.0
  Sr  Sr22  1  0.0  0.22  0.68  1.0
  Sr  Sr23  1  0.0  0.21  0.68  1.0
  Al  Al0  1  0.37  0.71  0.17  1.0
  Al  Al1  1  0.37  0.22  0.59  1.0
  Al  Al2  1  0.37  0.2  0.59  1.0
  Al  Al3  1  0.0  0.0  0.4  1.0
  Al  Al4  1  0.0  0.93  0.98  1.0
  Al  Al5  1  0.0  0.49  0.98  1.0

data_Sr3Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   8.75
_cell_length_c   21.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Al
_chemical_formula_sum   'Sr18 Al6'
_cell_volume   1043.85
_cell_formula_units_Z   6
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  0.18  0.18  0.7  1.0
  Sr  Sr1  1  0.18  0.18  0.72  1.0
  Sr  Sr2  1  0.18  0.57  0.7  1.0
  Sr  Sr3  1  0.18  0.57  0.72  1.0
  Sr  Sr4  1  0.19  0.0  0.71  1.0
  Sr  Sr5  1  0.38  0.37  0.0  1.0
  Sr  Sr6  1  0.39  0.2  0.01  1.0
  Sr  Sr7  1  0.39  0.2  0.42  1.0
  Sr  Sr8  1  0.39  0.55  0.01  1.0
  Sr  Sr9  1  0.39  0.55  0.42  1.0
  Sr  Sr10  1  0.59  0.83  0.0  1.0
  Sr  Sr11  1  0.59  0.91  0.0  1.0
  Sr  Sr12  1  0.68  0.0  0.21  1.0
  Sr  Sr13  1  0.68  0.0  0.22  1.0
  Sr  Sr14  1  0.89  0.37  0.49  1.0
  Sr  Sr15  1  0.89  0.37  0.93  1.0
  Sr  Sr16  1  0.98  0.21  0.71  1.0
  Sr  Sr17  1  0.98  0.54  0.71  1.0
  Al  Al18  1  0.17  0.37  0.71  1.0
  Al  Al19  1  0.4  0.0  0.0  1.0
  Al  Al20  1  0.59  0.37  0.2  1.0
  Al  Al21  1  0.59  0.37  0.22  1.0
  Al  Al22  1  0.98  0.0  0.49  1.0
  Al  Al23  1  0.98  0.0  0.93  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Al Al Al Al Al Al