data_HfGaReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaReBi
_chemical_formula_sum   'Hf1 Ga1 Re1 Bi1'
_cell_volume   79.67
_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
  Hf  Hf2  1  0.42  0.42  0.42  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.12  0.12  0.12  1.0
  Bi  Bi0  1  0.71  0.71  0.71  1.0

data_HfGaReBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfGaReBi
_chemical_formula_sum   'Hf3 Ga3 Re3 Bi3'
_cell_volume   239.01
_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  0.58  1.0
  Ga  Ga1  3  0.0  0.0  0.0  1.0
  Re  Re2  3  0.0  0.0  0.88  1.0
  Bi  Bi3  3  0.0  0.0  0.29  1.0

Hf Ga Re Bi
Hf Ga Re Bi 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 o - - 2 3 - o - 2 3 - - o 
HfReGaBi crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 11-coordinate geometry to four equivalent Re(1), three equivalent Ga(1), and four equivalent Bi(1) atoms. There are three shorter (2.83 Å) and one longer (3.46 Å) Hf(1)-Re(1) bond length. All Hf(1)-Ga(1) bond lengths are 2.95 Å. There are three shorter (2.83 Å) and one longer (3.46 Å) Hf(1)-Bi(1) bond length. Re(1) is bonded in a single-bond geometry to four equivalent Hf(1) and one Ga(1) atom. The Re(1)-Ga(1) bond length is 1.45 Å. Ga(1) is bonded in a single-bond geometry to three equivalent Hf(1), one Re(1), and three equivalent Bi(1) atoms. All Ga(1)-Bi(1) bond lengths are 2.83 Å. Bi(1) is bonded in a 7-coordinate geometry to four equivalent Hf(1) and three equivalent Ga(1) atoms.