data_NaTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.92
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlTe2
_chemical_formula_sum   'Na1 Tl1 Te2'
_cell_volume   122.47
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.46  0.53  1.0
  Te  Te1  1  0.46  0.0  0.53  1.0
  Te  Te2  1  0.46  0.46  0.0  1.0

data_NaTlTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   4.92
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlTe2
_chemical_formula_sum   'Na1 Tl1 Te2'
_cell_volume   122.47
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.46  0.53  1.0
  Te  Te2  1  0.46  0.0  0.53  1.0
  Te  Te3  1  0.46  0.46  0.0  1.0

Na Tl Te Te
NaTlTe2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 12-coordinate geometry to four equivalent Tl(1), four equivalent Te(1), and four equivalent Te(2) atoms. There are a spread of Na(1)-Tl(1) bond distances ranging from 3.28-3.79 Å. There are a spread of Na(1)-Te(1) bond distances ranging from 3.25-3.80 Å. There are a spread of Na(1)-Te(2) bond distances ranging from 3.19-3.77 Å. Tl(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Te(1), and three equivalent Te(2) atoms. There are a spread of Tl(1)-Te(1) bond distances ranging from 3.19-3.51 Å. There are a spread of Tl(1)-Te(2) bond distances ranging from 3.25-3.57 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to four equivalent Na(1) and three equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to four equivalent Na(1) and three equivalent Tl(1) atoms.