data_SrAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   4.68
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2
_chemical_formula_sum   'Sr4 Al8'
_cell_volume   314.45
_cell_formula_units_Z   4
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  Sr8  1  0.98  0.17  0.9  1.0
  Sr  Sr9  1  0.43  0.51  0.97  1.0
  Sr  Sr10  1  0.39  0.17  0.89  1.0
  Sr  Sr11  1  0.83  0.51  0.96  1.0
  Al  Al0  1  0.57  0.17  0.95  1.0
  Al  Al1  1  0.66  0.51  0.88  1.0
  Al  Al2  1  0.16  0.17  0.98  1.0
  Al  Al3  1  0.25  0.51  0.91  1.0
  Al  Al4  1  0.22  0.17  0.16  1.0
  Al  Al5  1  0.01  0.51  0.23  1.0
  Al  Al6  1  0.81  0.17  0.64  1.0
  Al  Al7  1  0.6  0.51  0.71  1.0

data_SrAl2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.68
_cell_length_b   6.82
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrAl2
_chemical_formula_sum   'Sr4 Al8'
_cell_volume   314.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.33  0.07  0.97  1.0
  Sr  Sr1  2  0.33  0.48  0.96  1.0
  Al  Al2  2  0.33  0.31  0.23  1.0
  Al  Al3  2  0.33  0.66  0.02  1.0
  Al  Al4  2  0.33  0.25  0.05  1.0
  Al  Al5  2  0.33  0.9  0.71  1.0

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