data_Ho2AlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2AlGa
_chemical_formula_sum   'Ho2 Al1 Ga1'
_cell_volume   90.94
_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
  Ho  Ho2  1  0.35  0.35  0.35  1.0
  Ho  Ho3  1  0.78  0.78  0.78  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.57  0.57  0.57  1.0

data_Ho2AlGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ho2AlGa
_chemical_formula_sum   'Ho6 Al3 Ga3'
_cell_volume   272.81
_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
  Ho  Ho0  3  0.0  0.0  0.22  1.0
  Ho  Ho1  3  0.0  0.0  0.65  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.43  1.0

Ho Ho Al Ga
Ho Ho Al Ga 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 2 + o + 1 2 o + + 1 2 + + o 1 2 + + + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 o + o 2 3 - - o 2 3 - o - 2 3 o - - 
Ho2GaAl is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to four equivalent Ga(1) and three equivalent Al(1) atoms. There is one shorter (2.66 Å) and three longer (3.26 Å) Ho(1)-Ga(1) bond lengths. All Ho(1)-Al(1) bond lengths are 2.93 Å. In the second Ho site, Ho(2) is bonded in a distorted linear geometry to one Ga(1) and one Al(1) atom. The Ho(2)-Ga(1) bond length is 2.66 Å. The Ho(2)-Al(1) bond length is 2.66 Å. Ga(1) is bonded in a distorted linear geometry to one Ho(2) and four equivalent Ho(1) atoms. Al(1) is bonded in a 4-coordinate geometry to one Ho(2) and three equivalent Ho(1) atoms.