data_Tl8Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   7.73
_cell_angle_alpha   96.37
_cell_angle_beta   96.37
_cell_angle_gamma   141.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl8Sn
_chemical_formula_sum   'Tl8 Sn1'
_cell_volume   273.09
_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  0.68  0.32  0.57  1.0
  Tl  Tl2  1  0.32  0.68  0.57  1.0
  Tl  Tl3  1  0.37  0.0  0.0  1.0
  Tl  Tl4  1  0.68  0.68  0.57  1.0
  Tl  Tl5  1  0.0  0.37  0.0  1.0
  Tl  Tl6  1  0.47  0.47  0.0  1.0
  Tl  Tl7  1  0.93  0.0  0.0  1.0
  Tl  Tl8  1  0.0  0.93  0.0  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0

data_Tl8Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   14.57
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   109.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl8Sn
_chemical_formula_sum   'Tl16 Sn2'
_cell_volume   546.18
_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  4  0.0  0.32  0.43  1.0
  Tl  Tl1  4  0.03  0.03  0.0  1.0
  Tl  Tl2  4  0.31  0.69  0.0  1.0
  Tl  Tl3  2  0.03  0.5  0.0  1.0
  Tl  Tl4  2  0.32  0.0  0.43  1.0
  Sn  Sn5  2  0.0  0.0  0.0  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Sn
Tl Tl Tl Tl Tl Tl Tl Tl Sn 0 3 o o o 0 1 o - o 0 1 + o o 1 3 o o o 2 7 o - o 2 5 o o o 2 8 o o o 2 4 o - o 2 4 + o o 3 6 o + + 3 8 + + + 3 7 + o + 4 8 o o o 4 6 - o o 4 5 o o o 5 8 o o o 5 8 + + o 5 7 o - o 5 7 + o o 5 6 - o o 5 6 o + o 6 8 + o o 7 8 o + o 