data_Co5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co5Bi
_chemical_formula_sum   'Co5 Bi1'
_cell_volume   80.67
_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  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.56  0.56  0.56  1.0
  Co  Co3  1  0.29  0.56  0.29  1.0
  Co  Co4  1  0.29  0.29  0.56  1.0
  Co  Co5  1  0.56  0.29  0.29  1.0
  Bi  Bi0  1  0.14  0.14  0.14  1.0

data_Co5Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co5Bi
_chemical_formula_sum   'Co15 Bi3'
_cell_volume   242.0
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.09  0.18  0.62  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.44  1.0
  Bi  Bi3  3  0.0  0.0  0.86  1.0

Co Co Co Co Co Bi
Co Co Co Co Co Bi 0 4 - o o 0 2 o - o 0 3 o o - 0 5 o o o 1 4 o o o 1 3 o o o 1 2 o o o 2 3 o o o 2 4 o o o 3 4 o o o 
Co5Bi crystallizes in the trigonal R3m space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted single-bond geometry to three equivalent Co(2) and one Bi(1) atom. All Co(1)-Co(2) bond lengths are 3.05 Å. The Co(1)-Bi(1) bond length is 1.71 Å. In the second Co site, Co(2) is bonded in a 15-coordinate geometry to three equivalent Co(1), nine equivalent Co(3), and three equivalent Bi(1) atoms. There are three shorter (2.27 Å) and six longer (3.10 Å) Co(2)-Co(3) bond lengths. All Co(2)-Bi(1) bond lengths are 2.98 Å. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to two equivalent Co(3) and three equivalent Co(2) atoms. Both Co(3)-Co(3) bond lengths are 1.31 Å. Bi(1) is bonded in a distorted single-bond geometry to one Co(1) and three equivalent Co(2) atoms.