data_Re2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcBr
_chemical_formula_sum   'Re2 Tc1 Br1'
_cell_volume   63.57
_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  0.48  0.48  0.13  1.0
  Re  Re2  1  0.0  0.0  0.8  1.0
  Tc  Tc3  1  0.48  0.48  0.58  1.0
  Br  Br0  1  0.0  0.0  0.43  1.0

data_Re2TcBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2TcBr
_chemical_formula_sum   'Re4 Tc2 Br2'
_cell_volume   127.14
_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  0.8  1.0
  Re  Re1  2  0.48  0.0  0.13  1.0
  Tc  Tc2  2  0.48  0.0  0.58  1.0
  Br  Br3  2  0.0  0.0  0.43  1.0

Re Re Tc Br
Re Re Tc Br 0 1 o o - 0 1 o + - 0 1 + o - 0 1 + + - 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 0 + o o 0 0 o + o 0 2 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 1 + o o 1 1 o + o 1 3 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 
Re2TcBr crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to four equivalent Re(2) and four equivalent Br(1) atoms. There are a spread of Re(1)-Re(2) bond distances ranging from 3.08-3.21 Å. There are a spread of Re(1)-Br(1) bond distances ranging from 3.00-3.14 Å. In the second Re site, Re(2) is bonded in a 13-coordinate geometry to four equivalent Re(1), four equivalent Re(2), four equivalent Tc(1), and one Br(1) atom. All Re(2)-Re(2) bond lengths are 2.95 Å. There are a spread of Re(2)-Tc(1) bond distances ranging from 2.58-2.74 Å. The Re(2)-Br(1) bond length is 2.70 Å. Tc(1) is bonded in a 4-coordinate geometry to four equivalent Re(2) and four equivalent Br(1) atoms. There are a spread of Tc(1)-Br(1) bond distances ranging from 2.25-2.43 Å. Br(1) is bonded in a 4-coordinate geometry to one Re(2), four equivalent Re(1), and four equivalent Tc(1) atoms.