data_Tl2SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   143.31
_cell_angle_beta   129.16
_cell_angle_gamma   64.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnTe
_chemical_formula_sum   'Tl2 Sn1 Te1'
_cell_volume   127.5
_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  0.92  1.0
  Tl  Tl3  1  0.06  0.0  0.85  1.0
  Sn  Sn0  1  0.0  0.0  0.83  1.0
  Te  Te1  1  0.0  0.8  0.51  1.0

data_Tl2SnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   5.61
_cell_length_c   6.53
_cell_angle_alpha   115.42
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnTe
_chemical_formula_sum   'Tl2 Sn1 Te1'
_cell_volume   127.5
_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  0.08  0.08  0.08  1.0
  Tl  Tl1  1  0.2  0.15  0.2  1.0
  Sn  Sn2  1  0.17  0.17  0.17  1.0
  Te  Te3  1  0.49  0.29  0.29  1.0

Tl Tl Sn Te