data_CaTeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   146.37
_cell_angle_beta   141.92
_cell_angle_gamma   51.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTeBr
_chemical_formula_sum   'Ca1 Te1 Br1'
_cell_volume   89.65
_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
  Ca  Ca1  1  0.0  0.0  0.95  1.0
  Te  Te2  1  0.0  0.0  0.97  1.0
  Br  Br0  1  0.0  0.0  0.16  1.0

data_CaTeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.18
_cell_length_c   6.41
_cell_angle_alpha   109.04
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTeBr
_chemical_formula_sum   'Ca1 Te1 Br1'
_cell_volume   89.65
_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
  Ca  Ca0  1  0.0  0.95  0.95  1.0
  Te  Te1  1  0.0  0.97  0.97  1.0
  Br  Br2  1  0.0  0.16  0.16  1.0

Ca Te Br
CaTeBr is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaTeBr cluster. Ca(1) is bonded in a single-bond geometry to one Te(1) atom. The Ca(1)-Te(1) bond length is 0.15 Å. Te(1) is bonded in a linear geometry to one Ca(1) and one Br(1) atom. The Te(1)-Br(1) bond length is 1.22 Å. Br(1) is bonded in a single-bond geometry to one Te(1) atom.