data_TlSnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnTe
_chemical_formula_sum   'Tl1 Sn1 Te1'
_cell_volume   102.74
_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  0.04  0.18  0.7  1.0
  Sn  Sn0  1  0.0  0.0  0.28  1.0
  Te  Te1  1  0.0  0.36  0.12  1.0

data_TlSnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnTe
_chemical_formula_sum   'Tl1 Sn1 Te1'
_cell_volume   102.74
_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  0.04  0.18  0.7  1.0
  Sn  Sn1  1  0.0  0.0  0.28  1.0
  Te  Te2  1  -0.0  0.36  0.12  1.0

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