data_Co2Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.44
_cell_length_c   7.97
_cell_angle_alpha   55.91
_cell_angle_beta   50.75
_cell_angle_gamma   73.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Bi3
_chemical_formula_sum   'Co4 Bi6'
_cell_volume   225.39
_cell_formula_units_Z   2
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  Co6  1  0.1  0.49  0.01  1.0
  Co  Co7  1  0.62  0.3  0.01  1.0
  Co  Co8  1  0.94  0.54  0.8  1.0
  Co  Co9  1  0.78  0.25  0.8  1.0
  Bi  Bi0  1  0.68  0.49  0.74  1.0
  Bi  Bi1  1  0.05  0.29  0.74  1.0
  Bi  Bi2  1  0.37  0.65  0.95  1.0
  Bi  Bi3  1  1.0  0.24  0.95  1.0
  Bi  Bi4  1  0.04  0.84  0.33  1.0
  Bi  Bi5  1  0.36  0.89  0.55  1.0

data_Co2Bi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.89
_cell_angle_alpha   106.66
_cell_angle_beta   106.66
_cell_angle_gamma   112.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Bi3
_chemical_formula_sum   'Co4 Bi6'
_cell_volume   225.39
_cell_formula_units_Z   2
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  0.1  0.6  0.12  1.0
  Co  Co1  1  0.62  0.94  0.64  1.0
  Co  Co2  1  0.78  0.83  0.58  1.0
  Co  Co3  1  0.94  0.28  0.74  1.0
  Bi  Bi4  1  0.04  0.21  0.37  1.0
  Bi  Bi5  1  0.05  0.08  0.78  1.0
  Bi  Bi6  1  0.36  0.8  0.91  1.0
  Bi  Bi7  1  0.37  0.97  0.32  1.0
  Bi  Bi8  1  0.68  0.91  0.42  1.0
  Bi  Bi9  1  1.0  0.19  0.95  1.0

Co Co Co Co Bi Bi Bi Bi Bi Bi
Co Co Co Co Bi Bi Bi Bi Bi Bi 0 7 - o - 0 2 - o - 0 6 o o - 0 9 o o - 1 3 o o - 1 4 o o - 1 6 o o - 1 9 o - o 2 5 + o o 2 7 o o o 2 8 + o o 2 9 + o o 3 4 o o o 3 5 + o o 4 6 o o o 4 8 + o o 4 9 o o o 5 7 - o o 5 8 o o o 5 9 o - o 6 8 o o + 6 9 o o o 7 8 + - + 
Co2Bi3 crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Bi(3), one Bi(4), one Bi(5), and one Bi(6) atom. The Co(1)-Bi(3) bond length is 2.02 Å. The Co(1)-Bi(4) bond length is 2.29 Å. The Co(1)-Bi(5) bond length is 3.43 Å. The Co(1)-Bi(6) bond length is 2.70 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Co(4), one Bi(1), one Bi(4), and one Bi(6) atom. The Co(2)-Co(4) bond length is 1.54 Å. The Co(2)-Bi(1) bond length is 1.65 Å. The Co(2)-Bi(4) bond length is 2.25 Å. The Co(2)-Bi(6) bond length is 2.94 Å. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one Bi(2), one Bi(4), one Bi(5), and one Bi(6) atom. The Co(3)-Bi(2) bond length is 1.74 Å. The Co(3)-Bi(4) bond length is 1.70 Å. The Co(3)-Bi(5) bond length is 2.74 Å. The Co(3)-Bi(6) bond length is 2.99 Å. In the fourth Co site, Co(4) is bonded in a 3-coordinate geometry to one Co(2), one Bi(1), and one Bi(2) atom. The Co(4)-Bi(1) bond length is 1.48 Å. The Co(4)-Bi(2) bond length is 1.63 Å. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one Co(2), one Co(4), one Bi(5), and one Bi(6) atom. The Bi(1)-Bi(5) bond length is 2.57 Å. The Bi(1)-Bi(6) bond length is 3.20 Å. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), one Bi(4), and one Bi(6) atom. The Bi(2)-Bi(4) bond length is 1.37 Å. The Bi(2)-Bi(6) bond length is 3.27 Å. In the third Bi site, Bi(3) is bonded in a 1-coordinate geometry to one Co(1), one Bi(5), and one Bi(6) atom. The Bi(3)-Bi(5) bond length is 3.07 Å. The Bi(3)-Bi(6) bond length is 2.71 Å. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one Co(1), one Co(2), one Co(3), one Bi(2), and one Bi(5) atom. The Bi(4)-Bi(5) bond length is 2.80 Å. In the fifth Bi site, Bi(5) is bonded in a 5-coordinate geometry to one Co(1), one Co(3), one Bi(1), one Bi(3), and one Bi(4) atom. In the sixth Bi site, Bi(6) is bonded in a 6-coordinate geometry to one Co(1), one Co(2), one Co(3), one Bi(1), one Bi(2), and one Bi(3) atom.