data_Tl2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbTe
_chemical_formula_sum   'Tl2 Sb1 Te1'
_cell_volume   124.38
_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  0.66  0.17  0.66  1.0
  Tl  Tl3  1  0.66  0.83  0.66  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.32  0.0  0.0  1.0

data_Tl2SbTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   119.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbTe
_chemical_formula_sum   'Tl2 Sb1 Te1'
_cell_volume   124.38
_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  0.66  0.66  0.17  1.0
  Tl  Tl1  1  0.66  0.66  0.83  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.32  0.0  1.0

Tl Tl Sb Te
Tl Tl Sb Te 0 3 o o + 0 1 o - o 1 2 + + + 2 3 o o o 