data_K2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   142.75
_cell_angle_beta   142.75
_cell_angle_gamma   53.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TeBr
_chemical_formula_sum   'K2 Te1 Br1'
_cell_volume   158.04
_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
  K  K1  1  0.0  0.42  0.38  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.42  0.0  0.38  1.0
  Br  Br0  1  0.0  0.0  0.76  1.0

data_K2TeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   7.57
_cell_angle_alpha   108.63
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TeBr
_chemical_formula_sum   'K2 Te1 Br1'
_cell_volume   158.04
_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
  K  K0  1  0.0  0.0  0.0  1.0
  K  K1  1  0.96  0.38  0.96  1.0
  Te  Te2  1  0.38  0.96  0.96  1.0
  Br  Br3  1  0.76  0.76  0.76  1.0

K K Te Br
K2TeBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one K2TeBr cluster. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one Br(1) atom. The K(1)-Br(1) bond length is 2.74 Å. In the second K site, K(2) is bonded in a 2-coordinate geometry to one Te(1) and one Br(1) atom. The K(2)-Te(1) bond length is 1.95 Å. The K(2)-Br(1) bond length is 1.85 Å. Te(1) is bonded in a distorted single-bond geometry to one K(2) atom. Br(1) is bonded in a distorted single-bond geometry to one K(1) and one K(2) atom.