data_HoEr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoEr2Ni
_chemical_formula_sum   'Ho1 Er2 Ni1'
_cell_volume   95.5
_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  0.63  0.63  0.63  1.0
  Er  Er0  1  0.81  0.81  0.81  1.0
  Er  Er1  1  0.44  0.44  0.44  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_HoEr2Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HoEr2Ni
_chemical_formula_sum   'Ho3 Er6 Ni3'
_cell_volume   286.49
_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  0.37  1.0
  Er  Er1  3  0.0  0.0  0.19  1.0
  Er  Er2  3  0.0  0.0  0.56  1.0
  Ni  Ni3  3  0.0  0.0  0.0  1.0

Ho Er Er Ni
Ho Er Er Ni 0 2 o o o 0 1 o o o 0 3 + + o 0 3 + o + 0 3 o + + 1 3 + + + 1 2 + o o 1 2 o + o 1 2 o o + 
Er2HoNi crystallizes in the trigonal R3m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 2-coordinate geometry to one Ho(1) and one Ni(1) atom. The Er(1)-Ho(1) bond length is 2.34 Å. The Er(1)-Ni(1) bond length is 2.34 Å. In the second Er site, Er(2) is bonded in a 4-coordinate geometry to one Ho(1) and three equivalent Ni(1) atoms. The Er(2)-Ho(1) bond length is 2.34 Å. All Er(2)-Ni(1) bond lengths are 3.26 Å. Ho(1) is bonded to one Er(1), one Er(2), and three equivalent Ni(1) atoms to form distorted corner-sharing HoEr2Ni3 trigonal bipyramids. All Ho(1)-Ni(1) bond lengths are 3.00 Å. Ni(1) is bonded in a 1-coordinate geometry to one Er(1), three equivalent Er(2), and three equivalent Ho(1) atoms.