data_CoReBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReBr2
_chemical_formula_sum   'Co1 Re1 Br2'
_cell_volume   65.13
_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  0.0  1.0
  Re  Re3  1  0.0  0.0  0.2  1.0
  Br  Br0  1  0.6  0.6  0.82  1.0
  Br  Br1  1  0.6  0.6  0.57  1.0

data_CoReBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoReBr2
_chemical_formula_sum   'Co2 Re2 Br4'
_cell_volume   130.27
_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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.2  1.0
  Br  Br2  2  0.1  0.5  0.57  1.0
  Br  Br3  2  0.1  0.5  0.82  1.0

Co Re Br Br
ReCoBr2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a distorted single-bond geometry to one Co(1) and three equivalent Br(2) atoms. The Re(1)-Co(1) bond length is 1.25 Å. There is one shorter (3.02 Å) and two longer (3.33 Å) Re(1)-Br(2) bond lengths. Co(1) is bonded in a 5-coordinate geometry to one Re(1) and four equivalent Br(1) atoms. There are a spread of Co(1)-Br(1) bond distances ranging from 2.16-2.93 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to four equivalent Co(1) and one Br(2) atom. The Br(1)-Br(2) bond length is 1.57 Å. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to three equivalent Re(1) and one Br(1) atom.