data_HfNbAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbAlCo
_chemical_formula_sum   'Hf1 Nb1 Al1 Co1'
_cell_volume   65.51
_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  Hf1  1  0.8  0.8  0.8  1.0
  Nb  Nb2  1  0.2  0.2  0.2  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.6  0.6  0.6  1.0

data_HfNbAlCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfNbAlCo
_chemical_formula_sum   'Hf3 Nb3 Al3 Co3'
_cell_volume   196.52
_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  0.2  1.0
  Nb  Nb1  3  0.0  0.0  0.8  1.0
  Al  Al2  3  0.0  0.0  -0.0  1.0
  Co  Co3  3  0.0  0.0  0.4  1.0

Hf Nb Al Co
HfNbCoAl crystallizes in the trigonal R3m space group. Hf(1) is bonded in a distorted linear geometry to three equivalent Nb(1), one Co(1), and one Al(1) atom. All Hf(1)-Nb(1) bond lengths are 2.72 Å. The Hf(1)-Co(1) bond length is 2.21 Å. The Hf(1)-Al(1) bond length is 2.22 Å. Nb(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1), three equivalent Co(1), and one Al(1) atom. All Nb(1)-Co(1) bond lengths are 2.72 Å. The Nb(1)-Al(1) bond length is 2.21 Å. Co(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent Nb(1) atoms. Al(1) is bonded in a 1-coordinate geometry to one Hf(1) and one Nb(1) atom.