data_GdHoGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdHoGa2
_chemical_formula_sum   'Gd1 Ho1 Ga2'
_cell_volume   91.44
_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
  Gd  Gd2  1  0.0  0.0  0.0  1.0
  Ho  Ho3  1  0.58  0.58  0.58  1.0
  Ga  Ga0  1  0.36  0.36  0.36  1.0
  Ga  Ga1  1  0.79  0.79  0.79  1.0

data_GdHoGa2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GdHoGa2
_chemical_formula_sum   'Gd3 Ho3 Ga6'
_cell_volume   274.33
_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
  Gd  Gd0  3  0.0  0.0  0.0  1.0
  Ho  Ho1  3  0.0  0.0  0.42  1.0
  Ga  Ga2  3  0.0  0.0  0.21  1.0
  Ga  Ga3  3  0.0  0.0  0.64  1.0

Gd Ho Ga Ga
HoGdGa2 is Heusler structured and crystallizes in the trigonal R3m space group. Ho(1) is bonded in a distorted linear geometry to one Ga(1) and one Ga(2) atom. The Ho(1)-Ga(1) bond length is 2.63 Å. The Ho(1)-Ga(2) bond length is 2.63 Å. Gd(1) is bonded in a 4-coordinate geometry to one Ga(2) and three equivalent Ga(1) atoms. The Gd(1)-Ga(2) bond length is 2.63 Å. All Gd(1)-Ga(1) bond lengths are 2.94 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to one Ho(1) and three equivalent Gd(1) atoms. In the second Ga site, Ga(2) is bonded in a distorted linear geometry to one Ho(1) and one Gd(1) atom.