data_SrLi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   131.87
_cell_angle_beta   125.64
_cell_angle_gamma   75.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Hg
_chemical_formula_sum   'Sr1 Li2 Hg1'
_cell_volume   108.02
_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  0.54  1.0
  Li  Li1  1  0.0  0.0  0.86  1.0
  Li  Li2  1  0.32  0.0  0.12  1.0
  Hg  Hg0  1  0.0  0.6  0.45  1.0

data_SrLi2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   5.19
_cell_length_c   5.68
_cell_angle_alpha   117.18
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Hg
_chemical_formula_sum   'Sr1 Li2 Hg1'
_cell_volume   108.02
_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  0.46  0.46  0.46  1.0
  Li  Li1  1  0.14  0.14  0.14  1.0
  Li  Li2  1  0.2  0.88  0.2  1.0
  Hg  Hg3  1  0.55  0.15  0.15  1.0

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