data_NaTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTeBr2
_chemical_formula_sum   'Na1 Te1 Br2'
_cell_volume   113.38
_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  0.32  1.0
  Te  Te3  1  0.64  0.0  0.18  1.0
  Br  Br0  1  0.0  0.0  0.15  1.0
  Br  Br1  1  0.64  0.0  0.11  1.0

data_NaTeBr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaTeBr2
_chemical_formula_sum   'Na1 Te1 Br2'
_cell_volume   113.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.32  1.0
  Te  Te1  1  0.64  0.0  0.18  1.0
  Br  Br2  1  0.0  0.0  0.15  1.0
  Br  Br3  1  0.64  0.0  0.11  1.0

Na Te Br Br
NaTeBr2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one NaTeBr2 cluster. Na(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Na(1)-Br(1) bond length is 1.36 Å. Te(1) is bonded in a single-bond geometry to one Br(1) and one Br(2) atom. The Te(1)-Br(1) bond length is 1.39 Å. The Te(1)-Br(2) bond length is 0.55 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one Na(1) and one Te(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Te(1) atom.