data_SrLiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.62
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiAl2
_chemical_formula_sum   'Sr1 Li1 Al2'
_cell_volume   95.99
_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  0.76  0.81  0.77  1.0
  Li  Li2  1  0.0  0.0  0.31  1.0
  Al  Al0  1  0.0  0.0  0.07  1.0
  Al  Al1  1  0.76  0.81  0.71  1.0

data_SrLiAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.62
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiAl2
_chemical_formula_sum   'Sr1 Li1 Al2'
_cell_volume   95.99
_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  0.76  0.81  0.77  1.0
  Li  Li1  1  0.0  0.0  0.31  1.0
  Al  Al2  1  0.0  0.0  0.07  1.0
  Al  Al3  1  0.76  0.81  0.71  1.0

Sr Li Al Al
Sr Li Al Al 0 3 o o o 1 2 o o o 