data_CoAs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.81
_cell_angle_alpha   107.0
_cell_angle_beta   107.0
_cell_angle_gamma   44.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs2Br
_chemical_formula_sum   'Co1 As2 Br1'
_cell_volume   87.52
_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  0.8  0.0  0.56  1.0
  As  As0  1  0.61  0.0  0.93  1.0
  As  As1  1  0.95  0.0  0.95  1.0
  Br  Br2  1  0.6  0.0  0.72  1.0

data_CoAs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.39
_cell_length_c   6.81
_cell_angle_alpha   107.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs2Br
_chemical_formula_sum   'Co1 As2 Br1'
_cell_volume   87.52
_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  Co0  1  0.0  0.2  0.44  1.0
  As  As1  1  0.0  0.05  0.05  1.0
  As  As2  1  0.0  0.39  0.07  1.0
  Br  Br3  1  0.0  0.4  0.28  1.0

Co As As Br
Co As As Br 0 3 o o o 1 3 o o o 1 2 o o o 
CoAs2Br crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CoAs2Br cluster. Co(1) is bonded in a single-bond geometry to one Br(1) atom. The Co(1)-Br(1) bond length is 1.60 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one As(2) and one Br(1) atom. The As(1)-As(2) bond length is 1.49 Å. The As(1)-Br(1) bond length is 1.43 Å. In the second As site, As(2) is bonded in a 2-coordinate geometry to one As(1) and one Br(1) atom. The As(2)-Br(1) bond length is 1.86 Å. Br(1) is bonded in a 3-coordinate geometry to one Co(1), one As(1), and one As(2) atom.