data_TlTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   149.58
_cell_angle_beta   63.21
_cell_angle_gamma   126.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe3
_chemical_formula_sum   'Tl1 Te3'
_cell_volume   120.98
_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  0.75  0.0  0.02  1.0
  Te  Te0  1  0.0  0.84  0.03  1.0
  Te  Te1  1  0.75  0.85  0.0  1.0
  Te  Te2  1  0.0  0.0  0.05  1.0

data_TlTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   6.06
_cell_length_c   6.68
_cell_angle_alpha   116.98
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe3
_chemical_formula_sum   'Tl1 Te3'
_cell_volume   120.98
_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  0.25  0.98  0.23  1.0
  Te  Te1  1  0.0  0.95  0.95  1.0
  Te  Te2  1  0.1  0.85  0.1  1.0
  Te  Te3  1  0.84  0.81  0.81  1.0

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