data_TlTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   13.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe3
_chemical_formula_sum   'Tl1 Te3'
_cell_volume   136.39
_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  Tl3  1  0.0  0.0  0.88  1.0
  Te  Te0  1  0.57  0.57  0.98  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.57  0.57  0.78  1.0

data_TlTe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   13.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlTe3
_chemical_formula_sum   'Tl2 Te6'
_cell_volume   272.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.88  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.07  0.5  0.78  1.0
  Te  Te3  2  0.07  0.5  0.98  1.0

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