data_HfAlMoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlMoRh
_chemical_formula_sum   'Hf1 Al1 Mo1 Rh1'
_cell_volume   66.41
_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  0.82  0.82  0.82  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.21  0.21  0.21  1.0
  Rh  Rh3  1  0.61  0.61  0.61  1.0

data_HfAlMoRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfAlMoRh
_chemical_formula_sum   'Hf3 Al3 Mo3 Rh3'
_cell_volume   199.23
_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  0.18  1.0
  Al  Al1  3  0.0  0.0  1.0  1.0
  Mo  Mo2  3  0.0  0.0  0.79  1.0
  Rh  Rh3  3  0.0  0.0  0.39  1.0

Hf Al Mo Rh
Hf Al Mo Rh 0 3 o o o 0 3 o + o 0 3 + o o 0 3 o o + 0 1 + + + 0 2 + + o 0 2 + o + 0 2 o + + 1 2 o o o 1 2 o o - 1 2 - o o 1 2 o - o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 - o o 2 3 o - o 2 3 o o - 
HfMoRhAl crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 2-coordinate geometry to three equivalent Mo(1), four equivalent Rh(1), and one Al(1) atom. All Hf(1)-Mo(1) bond lengths are 2.71 Å. There is one shorter (2.38 Å) and three longer (2.94 Å) Hf(1)-Rh(1) bond lengths. The Hf(1)-Al(1) bond length is 1.99 Å. Mo(1) is bonded in a 10-coordinate geometry to three equivalent Hf(1), three equivalent Rh(1), and four equivalent Al(1) atoms. All Mo(1)-Rh(1) bond lengths are 2.71 Å. There is one shorter (2.38 Å) and three longer (2.94 Å) Mo(1)-Al(1) bond lengths. Rh(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), three equivalent Mo(1), and three equivalent Al(1) atoms. All Rh(1)-Al(1) bond lengths are 2.71 Å. Al(1) is bonded in a 2-coordinate geometry to one Hf(1), four equivalent Mo(1), and three equivalent Rh(1) atoms.