data_CoAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAu2Br
_chemical_formula_sum   'Co1 Au2 Br1'
_cell_volume   75.77
_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  Co3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.64  0.64  0.41  1.0
  Au  Au1  1  0.64  0.64  0.6  1.0
  Br  Br2  1  0.0  0.0  0.51  1.0

data_CoAu2Br
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   CoAu2Br
_chemical_formula_sum   'Co2 Au4 Br2'
_cell_volume   151.53
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Au  Au1  4  0.41  0.0  0.64  1.0
  Br  Br2  2  0.5  0.0  0.0  1.0

Co Au Au Br
CoAu2Br crystallizes in the monoclinic Cm space group. Co(1) is bonded in a 6-coordinate geometry to four equivalent Co(1), one Au(1), and one Au(2) atom. All Co(1)-Co(1) bond lengths are 3.29 Å. The Co(1)-Au(1) bond length is 3.34 Å. The Co(1)-Au(2) bond length is 3.27 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 2-coordinate geometry to one Co(1), one Au(2), and one Br(1) atom. The Au(1)-Au(2) bond length is 1.28 Å. The Au(1)-Br(1) bond length is 1.78 Å. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to one Co(1), one Au(1), and one Br(1) atom. The Au(2)-Br(1) bond length is 1.78 Å. Br(1) is bonded in a 2-coordinate geometry to one Au(1) and one Au(2) atom.