data_Tl2ZnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnTe
_chemical_formula_sum   'Tl2 Zn1 Te1'
_cell_volume   118.18
_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  Tl1  1  0.75  0.51  0.7  1.0
  Tl  Tl2  1  0.75  0.49  0.7  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.49  0.0  0.0  1.0

data_Tl2ZnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   109.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnTe
_chemical_formula_sum   'Tl2 Zn1 Te1'
_cell_volume   118.18
_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  0.7  0.75  0.49  1.0
  Tl  Tl1  1  0.7  0.75  0.51  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.49  0.0  1.0

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