data_Re2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94
_cell_length_b   8.94
_cell_length_c   8.94
_cell_angle_alpha   18.59
_cell_angle_beta   18.59
_cell_angle_gamma   18.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcBr
_chemical_formula_sum   'Re2 Tc1 Br1'
_cell_volume   63.37
_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
  Re  Re1  1  0.0  0.0  0.51  1.0
  Re  Re2  1  0.0  0.0  0.82  1.0
  Tc  Tc3  1  0.0  0.0  0.17  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Re2TcBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2TcBr
_chemical_formula_sum   'Re4 Tc2 Br2'
_cell_volume   126.73
_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
  Re  Re0  2  0.0  0.0  0.18  1.0
  Re  Re1  2  0.0  0.0  0.49  1.0
  Tc  Tc2  2  0.0  0.0  0.83  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Re Re Tc Br
Re Re Tc Br 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 
Re2TcBr crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one Re(2), six equivalent Re(1), and one Tc(1) atom to form a mixture of corner and edge-sharing ReRe7Tc hexagonal bipyramids. The Re(1)-Re(2) bond length is 2.78 Å. All Re(1)-Re(1) bond lengths are 2.89 Å. The Re(1)-Tc(1) bond length is 3.08 Å. In the second Re site, Re(2) is bonded in a single-bond geometry to one Re(1) and one Br(1) atom. The Re(2)-Br(1) bond length is 1.58 Å. Tc(1) is bonded in a single-bond geometry to one Re(1) and one Br(1) atom. The Tc(1)-Br(1) bond length is 1.50 Å. Br(1) is bonded in a linear geometry to one Re(2) and one Tc(1) atom.