data_HoLu2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoLu2Ga
_chemical_formula_sum   'Ho1 Lu2 Ga1'
_cell_volume   100.63
_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  Ho1  1  0.69  0.69  0.69  1.0
  Lu  Lu2  1  0.54  0.54  0.54  1.0
  Lu  Lu3  1  0.85  0.85  0.85  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_HoLu2Ga
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HoLu2Ga
_chemical_formula_sum   'Ho3 Lu6 Ga3'
_cell_volume   301.9
_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  0.31  1.0
  Lu  Lu1  3  0.0  0.0  0.15  1.0
  Lu  Lu2  3  0.0  0.0  0.46  1.0
  Ga  Ga3  3  0.0  0.0  0.0  1.0

Ho Lu Lu Ga
Ho Lu Lu Ga 0 1 o o o 0 2 o o o 2 3 + + + 
Lu2HoGa crystallizes in the trigonal R3m space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a single-bond geometry to one Ho(1) atom. The Lu(1)-Ho(1) bond length is 1.97 Å. In the second Lu site, Lu(2) is bonded in a distorted linear geometry to one Ho(1) and one Ga(1) atom. The Lu(2)-Ho(1) bond length is 1.97 Å. The Lu(2)-Ga(1) bond length is 1.97 Å. Ho(1) is bonded to one Lu(1), one Lu(2), and three equivalent Ga(1) atoms to form distorted corner-sharing HoLu2Ga3 trigonal bipyramids. All Ho(1)-Ga(1) bond lengths are 3.03 Å. Ga(1) is bonded in a distorted single-bond geometry to one Lu(2) and three equivalent Ho(1) atoms.