data_TlZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   145.05
_cell_angle_beta   138.89
_cell_angle_gamma   55.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnTe2
_chemical_formula_sum   'Tl1 Zn1 Te2'
_cell_volume   118.02
_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  0.0  0.0  0.04  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.0  0.39  0.08  1.0
  Te  Te1  1  0.04  0.0  0.96  1.0

data_TlZnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.78
_cell_length_c   6.81
_cell_angle_alpha   110.56
_cell_angle_beta   107.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnTe2
_chemical_formula_sum   'Tl1 Zn1 Te2'
_cell_volume   118.02
_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  0.0  0.04  0.04  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.96  0.92  1.0
  Te  Te3  1  0.61  0.68  0.68  1.0

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