data_CaTcBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01
_cell_length_b   11.01
_cell_length_c   11.01
_cell_angle_alpha   20.11
_cell_angle_beta   20.11
_cell_angle_gamma   20.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcBr2
_chemical_formula_sum   'Ca1 Tc1 Br2'
_cell_volume   137.9
_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  Ca2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.17  1.0
  Br  Br0  1  0.0  0.0  0.34  1.0
  Br  Br1  1  0.0  0.0  1.0  1.0

data_CaTcBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.66
_cell_length_b   3.84
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   101.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTcBr2
_chemical_formula_sum   'Ca2 Tc2 Br4'
_cell_volume   275.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.83  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0
  Br  Br3  2  0.0  0.0  0.66  1.0

CaTcBr2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTcBr2 clusters. Ca(1) is bonded in a single-bond geometry to one Tc(1) and one Br(2) atom. The Ca(1)-Tc(1) bond length is 1.88 Å. The Ca(1)-Br(2) bond length is 0.04 Å. Tc(1) is bonded in a linear geometry to one Ca(1) and one Br(1) atom. The Tc(1)-Br(1) bond length is 1.92 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Tc(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ca(1) atom.