data_CoBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi3
_chemical_formula_sum   'Co1 Bi3'
_cell_volume   105.92
_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
  Bi  Bi0  1  1.0  0.05  0.74  1.0
  Bi  Bi1  1  1.0  0.05  0.99  1.0
  Bi  Bi2  1  0.0  0.0  0.86  1.0

data_CoBi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.55
_cell_length_b   6.14
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoBi3
_chemical_formula_sum   'Co2 Bi6'
_cell_volume   211.84
_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
  Bi  Bi1  2  0.0  0.0  0.86  1.0
  Bi  Bi2  2  0.05  0.0  0.74  1.0
  Bi  Bi3  2  0.05  0.0  0.99  1.0

Co Bi Bi Bi
CoBi3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CoBi3 clusters. Co(1) is bonded in a single-bond geometry to one Bi(2) atom. The Co(1)-Bi(2) bond length is 0.22 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Bi(3) atom. The Bi(1)-Bi(3) bond length is 1.20 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Co(1) and one Bi(3) atom. The Bi(2)-Bi(3) bond length is 1.20 Å. In the third Bi site, Bi(3) is bonded in a distorted linear geometry to one Bi(1) and one Bi(2) atom.