data_TbEr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbEr2Ru
_chemical_formula_sum   'Tb1 Er2 Ru1'
_cell_volume   93.69
_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
  Tb  Tb3  1  0.6  0.6  0.6  1.0
  Er  Er0  1  0.41  0.41  0.41  1.0
  Er  Er1  1  0.8  0.8  0.8  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TbEr2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TbEr2Ru
_chemical_formula_sum   'Tb3 Er6 Ru3'
_cell_volume   281.08
_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
  Tb  Tb0  3  0.0  0.0  0.4  1.0
  Er  Er1  3  0.0  0.0  0.2  1.0
  Er  Er2  3  0.0  0.0  0.59  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

Tb Er Er Ru
Er2TbRu crystallizes in the trigonal R3m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one Tb(1) and three equivalent Ru(1) atoms to form distorted corner-sharing ErTbRu3 tetrahedra. The Er(1)-Tb(1) bond length is 2.47 Å. All Er(1)-Ru(1) bond lengths are 3.08 Å. In the second Er site, Er(2) is bonded in a distorted linear geometry to one Tb(1) and one Ru(1) atom. The Er(2)-Tb(1) bond length is 2.47 Å. The Er(2)-Ru(1) bond length is 2.47 Å. Tb(1) is bonded in a 5-coordinate geometry to one Er(1), one Er(2), and three equivalent Ru(1) atoms. All Tb(1)-Ru(1) bond lengths are 3.04 Å. Ru(1) is bonded in a 1-coordinate geometry to one Er(2), three equivalent Er(1), and three equivalent Tb(1) atoms.