data_CoTcBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcBr2
_chemical_formula_sum   'Co1 Tc1 Br2'
_cell_volume   82.88
_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
  Co  Co2  1  0.0  0.0  0.65  1.0
  Tc  Tc3  1  0.92  0.0  0.49  1.0
  Br  Br0  1  0.0  0.0  0.58  1.0
  Br  Br1  1  0.92  0.0  0.21  1.0

data_CoTcBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcBr2
_chemical_formula_sum   'Co1 Tc1 Br2'
_cell_volume   82.88
_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
  Co  Co0  1  0.0  0.0  0.65  1.0
  Tc  Tc1  1  0.92  0.0  0.49  1.0
  Br  Br2  1  0.0  0.0  0.58  1.0
  Br  Br3  1  0.92  0.0  0.21  1.0

Co Tc Br Br
TcCoBr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TcCoBr2 cluster. Tc(1) is bonded in a distorted single-bond geometry to one Br(1) and one Br(2) atom. The Tc(1)-Br(1) bond length is 0.81 Å. The Tc(1)-Br(2) bond length is 2.15 Å. Co(1) is bonded in a single-bond geometry to one Br(1) atom. The Co(1)-Br(1) bond length is 0.55 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 150 degrees geometry to one Tc(1) and one Co(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Tc(1) atom.