data_TlZn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.85
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Te
_chemical_formula_sum   'Tl1 Zn2 Te1'
_cell_volume   100.11
_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  0.64  0.93  0.4  1.0
  Zn  Zn2  1  0.0  0.0  0.46  1.0
  Zn  Zn3  1  0.64  0.93  0.68  1.0
  Te  Te0  1  0.0  0.0  0.35  1.0

data_TlZn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.85
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Te
_chemical_formula_sum   'Tl1 Zn2 Te1'
_cell_volume   100.11
_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  0.64  0.93  0.4  1.0
  Zn  Zn1  1  0.0  0.0  0.46  1.0
  Zn  Zn2  1  0.64  0.93  0.68  1.0
  Te  Te3  1  0.0  0.0  0.35  1.0

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