data_Tl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.91
_cell_length_c   7.91
_cell_angle_alpha   154.77
_cell_angle_beta   154.77
_cell_angle_gamma   35.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Sn
_chemical_formula_sum   'Tl2 Sn1'
_cell_volume   89.79
_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
  Tl  Tl1  1  0.0  0.0  0.1  1.0
  Tl  Tl2  1  0.0  0.0  0.95  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0

data_Tl2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2Sn
_chemical_formula_sum   'Tl4 Sn2'
_cell_volume   179.58
_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
  Tl  Tl0  2  0.1  0.0  0.1  1.0
  Tl  Tl1  2  0.45  0.5  0.95  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0

Tl Tl Sn
Tl Tl Sn 0 2 o o o 1 2 o o + 