data_NaBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   125.58
_cell_angle_beta   125.58
_cell_angle_gamma   80.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBi2Te
_chemical_formula_sum   'Na1 Bi2 Te1'
_cell_volume   121.84
_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  Na2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.39  1.0
  Bi  Bi1  1  0.63  0.0  0.2  1.0
  Te  Te3  1  0.0  0.63  0.2  1.0

data_NaBi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.76
_cell_angle_alpha   117.21
_cell_angle_beta   117.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBi2Te
_chemical_formula_sum   'Na1 Bi2 Te1'
_cell_volume   121.84
_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
  Bi  Bi1  1  0.2  0.56  0.56  1.0
  Bi  Bi2  1  0.39  0.39  0.39  1.0
  Te  Te3  1  0.56  0.2  0.56  1.0

Na Bi Bi Te
NaBi2Te crystallizes in the triclinic P1 space group. Na(1) is bonded in a 3-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and one Te(1) atom. There is one shorter (2.26 Å) and one longer (3.50 Å) Na(1)-Bi(1) bond length. There is one shorter (2.92 Å) and one longer (3.13 Å) Na(1)-Bi(2) bond length. The Na(1)-Te(1) bond length is 3.13 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Bi(2), and one Te(1) atom. The Bi(1)-Bi(2) bond length is 1.72 Å. The Bi(1)-Te(1) bond length is 1.72 Å. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Bi(1) atom. Te(1) is bonded in a 2-coordinate geometry to one Na(1) and one Bi(1) atom.