data_Tl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.9
_cell_length_b   13.9
_cell_length_c   13.9
_cell_angle_alpha   164.7
_cell_angle_beta   164.7
_cell_angle_gamma   21.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Sn
_chemical_formula_sum   'Tl4 Sn2'
_cell_volume   187.0
_cell_formula_units_Z   2
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
  Tl  Tl2  1  0.85  0.0  0.78  1.0
  Tl  Tl3  1  0.0  0.0  0.69  1.0
  Tl  Tl4  1  0.85  0.0  0.87  1.0
  Tl  Tl5  1  0.0  0.0  0.61  1.0
  Sn  Sn0  1  0.0  0.85  0.82  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0

data_Tl2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   13.9
_cell_angle_alpha   97.65
_cell_angle_beta   97.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Sn
_chemical_formula_sum   'Tl4 Sn2'
_cell_volume   187.0
_cell_formula_units_Z   2
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
  Tl  Tl0  1  0.61  0.61  0.61  1.0
  Tl  Tl1  1  0.69  0.69  0.69  1.0
  Tl  Tl2  1  0.78  0.93  0.93  1.0
  Tl  Tl3  1  0.87  0.02  0.02  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.97  0.82  0.97  1.0

Tl Tl Tl Tl Sn Sn
Tl Tl Tl Tl Sn Sn 0 4 + - o 0 5 + o + 0 2 o o o 1 3 o o o 2 5 + o + 4 5 o + + 