data_SrLi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Hg
_chemical_formula_sum   'Sr1 Li2 Hg1'
_cell_volume   108.41
_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  0.87  1.0
  Li  Li1  1  0.0  0.0  0.29  1.0
  Li  Li2  1  0.92  0.92  0.32  1.0
  Hg  Hg0  1  0.92  0.92  0.91  1.0

data_SrLi2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLi2Hg
_chemical_formula_sum   'Sr2 Li4 Hg2'
_cell_volume   216.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.87  1.0
  Li  Li1  2  0.0  0.0  0.29  1.0
  Li  Li2  2  0.42  0.5  0.32  1.0
  Hg  Hg3  2  0.42  0.5  0.91  1.0

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