data_TlTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   7.28
_cell_length_c   8.58
_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   'Tl2 Te6'
_cell_volume   274.71
_cell_formula_units_Z   2
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  Tl6  1  0.2  0.0  0.38  1.0
  Tl  Tl7  1  0.0  0.64  0.19  1.0
  Te  Te0  1  0.0  0.0  0.98  1.0
  Te  Te1  1  0.2  0.64  0.6  1.0
  Te  Te2  1  0.2  0.67  0.95  1.0
  Te  Te3  1  0.2  0.61  0.95  1.0
  Te  Te4  1  0.0  0.03  0.62  1.0
  Te  Te5  1  0.0  0.25  0.62  1.0

data_TlTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   7.28
_cell_length_c   8.58
_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   'Tl2 Te6'
_cell_volume   274.71
_cell_formula_units_Z   2
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  0.0  0.64  0.19  1.0
  Tl  Tl1  1  0.2  0.0  0.38  1.0
  Te  Te2  1  0.0  0.0  0.98  1.0
  Te  Te3  1  0.0  0.03  0.62  1.0
  Te  Te4  1  0.0  0.25  0.62  1.0
  Te  Te5  1  0.2  0.61  0.95  1.0
  Te  Te6  1  0.2  0.64  0.6  1.0
  Te  Te7  1  0.2  0.67  0.95  1.0

Tl Tl Te Te Te Te Te Te
Tl Tl Te Te Te Te Te Te 0 6 o o o 0 3 o - o 1 5 o o - 1 4 o o - 1 2 o + - 2 5 o - o 2 4 o - o 2 6 o o o 3 7 o o o 3 6 o + o 3 5 o o o 3 4 o o o 4 5 o o o 6 7 o o o 