data_Sr2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.37
_cell_length_b   14.37
_cell_length_c   14.37
_cell_angle_alpha   163.93
_cell_angle_beta   163.93
_cell_angle_gamma   22.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Al
_chemical_formula_sum   'Sr4 Al2'
_cell_volume   227.48
_cell_formula_units_Z   2
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  Sr2  1  0.0  0.0  0.9  1.0
  Sr  Sr3  1  0.01  0.0  0.23  1.0
  Sr  Sr4  1  0.0  0.0  0.28  1.0
  Sr  Sr5  1  0.01  0.0  0.85  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.01  0.04  1.0

data_Sr2Al
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   14.37
_cell_angle_alpha   90.0
_cell_angle_beta   101.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2Al
_chemical_formula_sum   'Sr8 Al4'
_cell_volume   454.96
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.1  1.0
  Sr  Sr1  2  0.0  0.0  0.72  1.0
  Sr  Sr2  2  0.0  0.0  0.16  1.0
  Sr  Sr3  2  0.0  0.0  0.78  1.0
  Al  Al4  2  0.0  0.0  0.0  1.0
  Al  Al5  2  0.0  0.0  0.97  1.0

Sr Sr Sr Sr Al Al