data_SrLi2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.82
_cell_angle_alpha   110.81
_cell_angle_beta   110.81
_cell_angle_gamma   53.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Al
_chemical_formula_sum   'Sr1 Li2 Al1'
_cell_volume   102.17
_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  0.22  0.0  0.67  1.0
  Li  Li1  1  0.92  0.0  0.63  1.0
  Li  Li2  1  0.51  0.0  0.71  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_SrLi2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.89
_cell_length_c   5.82
_cell_angle_alpha   110.81
_cell_angle_beta   90.0
_cell_angle_gamma   116.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Al
_chemical_formula_sum   'Sr1 Li2 Al1'
_cell_volume   102.17
_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  0.78  0.33  1.0
  Li  Li1  1  0.0  0.08  0.37  1.0
  Li  Li2  1  0.0  0.49  0.29  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

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