data_HfNbReAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbReAs
_chemical_formula_sum   'Hf1 Nb1 Re1 As1'
_cell_volume   67.49
_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  Hf0  1  0.23  0.23  0.23  1.0
  Nb  Nb1  1  0.62  0.62  0.62  1.0
  Re  Re3  1  0.85  0.85  0.85  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_HfNbReAs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   11.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfNbReAs
_chemical_formula_sum   'Hf3 Nb3 Re3 As3'
_cell_volume   202.46
_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  0.77  1.0
  Nb  Nb1  3  0.0  0.0  0.38  1.0
  Re  Re2  3  0.0  0.0  0.15  1.0
  As  As3  3  0.0  0.0  0.0  1.0

Hf Nb Re As
HfNbReAs crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 10-coordinate geometry to three equivalent Nb(1), three equivalent Re(1), and four equivalent As(1) atoms. All Hf(1)-Nb(1) bond lengths are 2.70 Å. All Hf(1)-Re(1) bond lengths are 2.70 Å. There is one shorter (2.59 Å) and three longer (2.87 Å) Hf(1)-As(1) bond lengths. Nb(1) is bonded in a 10-coordinate geometry to three equivalent Hf(1), four equivalent Re(1), and three equivalent As(1) atoms. There is one shorter (2.59 Å) and three longer (2.87 Å) Nb(1)-Re(1) bond lengths. All Nb(1)-As(1) bond lengths are 2.70 Å. Re(1) is bonded in a distorted single-bond geometry to three equivalent Hf(1), four equivalent Nb(1), and one As(1) atom. The Re(1)-As(1) bond length is 1.71 Å. As(1) is bonded in a 1-coordinate geometry to four equivalent Hf(1), three equivalent Nb(1), and one Re(1) atom.