data_Tl2SiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   143.82
_cell_angle_beta   133.02
_cell_angle_gamma   60.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiSn
_chemical_formula_sum   'Tl2 Si1 Sn1'
_cell_volume   112.36
_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  Tl2  1  0.0  0.0  0.93  1.0
  Tl  Tl3  1  0.99  0.0  0.15  1.0
  Si  Si0  1  0.0  0.0  0.87  1.0
  Sn  Sn1  1  0.0  0.55  0.16  1.0

data_Tl2SiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   5.11
_cell_length_c   6.41
_cell_angle_alpha   113.49
_cell_angle_beta   108.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiSn
_chemical_formula_sum   'Tl2 Si1 Sn1'
_cell_volume   112.36
_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  Tl0  1  0.07  0.07  0.07  1.0
  Tl  Tl1  1  0.83  0.85  0.83  1.0
  Si  Si2  1  0.13  0.13  0.13  1.0
  Sn  Sn3  1  0.84  0.39  0.39  1.0

Tl Tl Si Sn
Tl Tl Si Sn 0 2 o o o 0 1 - o + 0 3 o o + 1 3 + - o 2 3 o - o 2 3 o o + 