data_CoSeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSeBr2
_chemical_formula_sum   'Co1 Se1 Br2'
_cell_volume   85.79
_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
  Se  Se3  1  0.55  0.55  0.0  1.0
  Br  Br0  1  0.55  0.0  0.66  1.0
  Br  Br1  1  0.0  0.55  0.66  1.0

data_CoSeBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoSeBr2
_chemical_formula_sum   'Co2 Se2 Br4'
_cell_volume   171.58
_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
  Se  Se1  2  0.05  0.5  0.0  1.0
  Br  Br2  4  0.27  0.27  0.66  1.0

Co Se Br Br
CoSeBr2 crystallizes in the monoclinic Cm space group. Co(1) is bonded in a 6-coordinate geometry to six equivalent Br(1) atoms. There are a spread of Co(1)-Br(1) bond distances ranging from 2.58-3.17 Å. Se(1) is bonded in a 4-coordinate geometry to four equivalent Br(1) atoms. There are two shorter (2.58 Å) and two longer (3.00 Å) Se(1)-Br(1) bond lengths. Br(1) is bonded in a 5-coordinate geometry to three equivalent Co(1) and two equivalent Se(1) atoms.