data_Li2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   4.55
_cell_angle_alpha   114.34
_cell_angle_beta   114.34
_cell_angle_gamma   45.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnHg
_chemical_formula_sum   'Li2 Sn1 Hg1'
_cell_volume   77.82
_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
  Li  Li1  1  0.78  0.0  0.88  1.0
  Li  Li2  1  0.75  0.0  0.18  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.77  0.0  0.03  1.0

data_Li2SnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.55
_cell_length_c   5.18
_cell_angle_alpha   114.34
_cell_angle_beta   112.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnHg
_chemical_formula_sum   'Li2 Sn1 Hg1'
_cell_volume   77.82
_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
  Li  Li0  1  0.0  0.18  0.75  1.0
  Li  Li1  1  0.0  0.88  0.78  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.03  0.77  1.0

Li Li Sn Hg
Li Li Sn Hg 0 3 o o + 0 2 + o + 1 3 o o o 