data_HfCoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoBi
_chemical_formula_sum   'Hf1 Co1 Bi1'
_cell_volume   69.33
_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
  Hf  Hf2  1  0.63  0.63  0.63  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.26  0.26  0.26  1.0

data_HfCoBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfCoBi
_chemical_formula_sum   'Hf3 Co3 Bi3'
_cell_volume   207.99
_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
  Hf  Hf0  3  0.0  0.0  0.37  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.74  1.0

Hf Co Bi
HfCoBi crystallizes in the trigonal R3m space group. Hf(1) is bonded in a hexagonal planar geometry to three equivalent Co(1) and three equivalent Bi(1) atoms. All Hf(1)-Co(1) bond lengths are 2.69 Å. All Hf(1)-Bi(1) bond lengths are 2.69 Å. Co(1) is bonded to three equivalent Hf(1) and four equivalent Bi(1) atoms to form distorted CoHf3Bi4 hexagonal pyramids that share corners with three equivalent Bi(1)Hf3Co4 hexagonal pyramids, corners with six equivalent Co(1)Hf3Bi4 hexagonal pyramids, edges with three equivalent Bi(1)Hf3Co4 hexagonal pyramids, and edges with six equivalent Co(1)Hf3Bi4 hexagonal pyramids. There are three shorter (2.79 Å) and one longer (2.94 Å) Co(1)-Bi(1) bond length. Bi(1) is bonded to three equivalent Hf(1) and four equivalent Co(1) atoms to form distorted BiHf3Co4 hexagonal pyramids that share corners with three equivalent Co(1)Hf3Bi4 hexagonal pyramids, corners with six equivalent Bi(1)Hf3Co4 hexagonal pyramids, edges with three equivalent Co(1)Hf3Bi4 hexagonal pyramids, and edges with six equivalent Bi(1)Hf3Co4 hexagonal pyramids.