data_Co2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   3.03
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcBr
_chemical_formula_sum   'Co2 Tc1 Br1'
_cell_volume   62.49
_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  Co1  1  0.48  0.0  0.09  1.0
  Co  Co2  1  0.48  0.0  0.87  1.0
  Tc  Tc3  1  0.0  0.51  0.48  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Co2TcBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   3.03
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Co2TcBr
_chemical_formula_sum   'Co2 Tc1 Br1'
_cell_volume   62.49
_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
  Co  Co0  1  0.48  0.0  0.09  1.0
  Co  Co1  1  0.48  0.0  0.87  1.0
  Tc  Tc2  1  0.0  0.5  0.48  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Co Co Tc Br
TcCo2Br crystallizes in the triclinic P1 space group. Tc(1) is bonded to four equivalent Tc(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of distorted corner and face-sharing TcCo8Tc4 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.03 Å) Tc(1)-Tc(1) bond lengths. There are a spread of Tc(1)-Co(1) bond distances ranging from 3.40-3.49 Å. There are a spread of Tc(1)-Co(2) bond distances ranging from 3.40-3.49 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to four equivalent Tc(1), one Co(2), and two equivalent Br(1) atoms. The Co(1)-Co(2) bond length is 1.54 Å. There is one shorter (1.57 Å) and one longer (1.67 Å) Co(1)-Br(1) bond length. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to four equivalent Tc(1), one Co(1), and two equivalent Br(1) atoms. There is one shorter (1.68 Å) and one longer (1.78 Å) Co(2)-Br(1) bond length. Br(1) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Co(2) atoms.