data_LiTl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71
_cell_length_b   9.71
_cell_length_c   9.71
_cell_angle_alpha   21.15
_cell_angle_beta   21.15
_cell_angle_gamma   21.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Sn
_chemical_formula_sum   'Li1 Tl2 Sn1'
_cell_volume   104.48
_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  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.31  1.0
  Tl  Tl3  1  0.0  0.0  0.18  1.0
  Sn  Sn1  1  0.0  0.0  0.24  1.0

data_LiTl2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   3.56
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   102.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTl2Sn
_chemical_formula_sum   'Li2 Tl4 Sn2'
_cell_volume   208.97
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.69  1.0
  Tl  Tl2  2  0.0  0.0  0.82  1.0
  Sn  Sn3  2  0.0  0.0  0.76  1.0

Li Tl Tl Sn
Li Tl Tl Sn 0 2 o o o 1 3 o o o 2 3 o o o 