data_SrLi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi3
_chemical_formula_sum   'Sr1 Li3'
_cell_volume   123.07
_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  0.54  0.0  0.0  1.0
  Li  Li0  1  0.77  0.82  0.39  1.0
  Li  Li1  1  0.77  0.18  0.39  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0

data_SrLi3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.77
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrLi3
_chemical_formula_sum   'Sr1 Li3'
_cell_volume   123.12
_cell_formula_units_Z   1
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  1  -0.0  0.0  0.54  1.0
  Li  Li1  2  0.39  0.18  0.77  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0

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