data_Tl4Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Te5
_chemical_formula_sum   'Tl8 Te10'
_cell_volume   561.75
_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  Tl10  1  0.0  0.0  0.3  1.0
  Tl  Tl11  1  0.0  0.0  0.0  1.0
  Tl  Tl12  1  0.83  0.17  0.95  1.0
  Tl  Tl13  1  0.26  0.0  0.95  1.0
  Tl  Tl14  1  0.87  0.42  0.95  1.0
  Tl  Tl15  1  0.13  0.42  0.65  1.0
  Tl  Tl16  1  0.66  0.0  0.65  1.0
  Tl  Tl17  1  0.17  0.17  0.65  1.0
  Te  Te0  1  0.57  0.19  0.95  1.0
  Te  Te1  1  0.77  0.0  0.95  1.0
  Te  Te2  1  0.61  0.4  0.95  1.0
  Te  Te3  1  0.39  0.4  0.65  1.0
  Te  Te4  1  0.15  0.0  0.65  1.0
  Te  Te5  1  0.43  0.19  0.65  1.0
  Te  Te6  1  0.0  0.73  0.3  1.0
  Te  Te7  1  0.96  0.86  0.0  1.0
  Te  Te8  1  0.96  0.86  0.3  1.0
  Te  Te9  1  0.0  0.73  0.0  1.0

data_Tl4Te5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.59
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Te5
_chemical_formula_sum   'Tl8 Te10'
_cell_volume   561.75
_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  0.0  0.0  1.0
  Tl  Tl1  1  0.3  0.0  0.0  1.0
  Tl  Tl2  1  0.65  0.13  0.42  1.0
  Tl  Tl3  1  0.65  0.17  0.17  1.0
  Tl  Tl4  1  0.65  0.66  0.0  1.0
  Tl  Tl5  1  0.95  0.26  0.0  1.0
  Tl  Tl6  1  0.95  0.83  0.17  1.0
  Tl  Tl7  1  0.95  0.87  0.42  1.0
  Te  Te8  1  0.0  0.0  0.73  1.0
  Te  Te9  1  0.0  0.96  0.86  1.0
  Te  Te10  1  0.3  0.0  0.73  1.0
  Te  Te11  1  0.3  0.96  0.86  1.0
  Te  Te12  1  0.65  0.15  0.0  1.0
  Te  Te13  1  0.65  0.39  0.4  1.0
  Te  Te14  1  0.65  0.43  0.19  1.0
  Te  Te15  1  0.95  0.57  0.19  1.0
  Te  Te16  1  0.95  0.61  0.4  1.0
  Te  Te17  1  0.95  0.77  0.0  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Te Te Te Te Te Te Te Te Te Te