data_SrLi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   7.22
_cell_angle_alpha   109.06
_cell_angle_beta   109.06
_cell_angle_gamma   29.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2
_chemical_formula_sum   'Sr2 Li4'
_cell_volume   197.23
_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  Sr4  1  0.58  0.0  0.5  1.0
  Sr  Sr5  1  0.94  0.0  0.3  1.0
  Li  Li0  1  0.28  0.0  0.9  1.0
  Li  Li1  1  0.08  0.0  0.29  1.0
  Li  Li2  1  0.43  0.0  0.5  1.0
  Li  Li3  1  0.23  0.0  0.89  1.0

data_SrLi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.88
_cell_length_b   7.22
_cell_length_c   7.72
_cell_angle_alpha   109.06
_cell_angle_beta   104.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrLi2
_chemical_formula_sum   'Sr2 Li4'
_cell_volume   197.23
_cell_formula_units_Z   2
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  0.0  0.1  0.32  1.0
  Li  Li1  2  0.0  0.1  0.17  1.0
  Li  Li2  2  0.0  0.5  0.98  1.0

Sr Sr Li Li Li Li
Sr Sr Li Li Li Li 0 4 o o o 1 3 + o o 2 5 o o o 