data_TlZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   3.18
_cell_angle_alpha   94.81
_cell_angle_beta   94.81
_cell_angle_gamma   125.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnTe2
_chemical_formula_sum   'Tl1 Zn1 Te2'
_cell_volume   117.78
_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  0.13  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.27  0.01  0.57  1.0
  Te  Te1  1  0.27  0.99  0.57  1.0

data_TlZnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   6.25
_cell_length_c   6.78
_cell_angle_alpha   62.55
_cell_angle_beta   85.19
_cell_angle_gamma   79.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnTe2
_chemical_formula_sum   'Tl1 Zn1 Te2'
_cell_volume   117.78
_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  0.13  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.43  0.01  0.27  1.0
  Te  Te3  1  0.43  0.99  0.28  1.0

Tl Zn Te Te