data_AlCo2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   7.94
_cell_angle_alpha   22.61
_cell_angle_beta   22.61
_cell_angle_gamma   22.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Bi
_chemical_formula_sum   'Al1 Co2 Bi1'
_cell_volume   64.89
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.99  1.0
  Co  Co3  1  0.0  0.0  0.21  1.0
  Bi  Bi1  1  0.0  0.0  0.6  1.0

data_AlCo2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   103.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCo2Bi
_chemical_formula_sum   'Al2 Co4 Bi2'
_cell_volume   129.78
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  -0.0  0.0  0.79  1.0
  Co  Co2  2  0.0  0.0  0.01  1.0
  Bi  Bi3  2  -0.0  0.0  0.4  1.0

Al Co Co Bi
Al Co Co Bi 0 1 o o - 0 2 o o o 0 3 o o - 1 2 o o + 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
Co2AlBi crystallizes in the monoclinic Cm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Al(1) and one Bi(1) atom. The Co(1)-Al(1) bond length is 0.07 Å. The Co(1)-Bi(1) bond length is 3.11 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Al(1) and one Bi(1) atom. The Co(2)-Al(1) bond length is 1.65 Å. The Co(2)-Bi(1) bond length is 3.11 Å. Al(1) is bonded in a distorted single-bond geometry to one Co(1) and one Co(2) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Co(1); one Co(2); and six Bi(1,1) atoms to form a mixture of distorted edge and corner-sharing BiCo2Bi6 hexagonal bipyramids. All Bi(1)-Bi(1,1) bond lengths are 3.11 Å. In the second Bi site, Bi(1) is bonded to one Co(1); one Co(2); and six Bi(1,1) atoms to form a mixture of distorted edge and corner-sharing BiCo2Bi6 hexagonal bipyramids. The Bi(1)-Co(1) bond length is 3.11 Å. The Bi(1)-Co(2) bond length is 3.11 Å. Both Bi(1)-Bi(1) bond lengths are 3.11 Å.