data_SrLiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   122.43
_cell_angle_beta   120.0
_cell_angle_gamma   87.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiAl2
_chemical_formula_sum   'Sr1 Li1 Al2'
_cell_volume   94.81
_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  0.0  0.0  0.71  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.58  0.94  1.0
  Al  Al1  1  0.48  0.0  0.76  1.0

data_SrLiAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   61.22
_cell_angle_gamma   61.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiAl2
_chemical_formula_sum   'Sr1 Li1 Al2'
_cell_volume   94.81
_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  0.0  0.0  0.71  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.0  0.52  0.76  1.0
  Al  Al3  1  0.58  0.0  0.37  1.0

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