data_TlZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   5.37
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnTe2
_chemical_formula_sum   'Tl1 Zn1 Te2'
_cell_volume   115.46
_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  0.27  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.64  0.68  0.55  1.0
  Te  Te1  1  0.64  0.68  0.99  1.0

data_TlZnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.37
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnTe2
_chemical_formula_sum   'Tl1 Zn1 Te2'
_cell_volume   115.46
_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  0.0  0.27  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.64  0.68  0.55  1.0
  Te  Te3  1  0.64  0.68  0.99  1.0

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