data_Tl2SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   134.21
_cell_angle_beta   134.21
_cell_angle_gamma   66.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnTe
_chemical_formula_sum   'Tl2 Sn1 Te1'
_cell_volume   123.76
_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  0.22  1.0
  Tl  Tl3  1  0.0  0.43  0.61  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.43  0.0  0.61  1.0

data_Tl2SnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.26
_cell_angle_alpha   112.9
_cell_angle_beta   112.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnTe
_chemical_formula_sum   'Tl2 Sn1 Te1'
_cell_volume   123.76
_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  0.18  0.61  0.18  1.0
  Tl  Tl1  1  0.22  0.22  0.22  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.61  0.18  0.18  1.0

Tl Tl Sn Te
Tl Tl Sn Te 0 2 o o o 0 1 o o o 0 3 o o o 