data_TbVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbVRu2
_chemical_formula_sum   'Tb1 V1 Ru2'
_cell_volume   64.78
_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  Tb2  1  0.19  0.19  0.19  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.59  0.59  0.59  1.0
  Ru  Ru1  1  0.78  0.78  0.78  1.0

data_TbVRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TbVRu2
_chemical_formula_sum   'Tb3 V3 Ru6'
_cell_volume   194.33
_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
  Tb  Tb0  3  0.0  0.0  0.81  1.0
  V  V1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.22  1.0
  Ru  Ru3  3  0.0  0.0  0.41  1.0

Tb V Ru Ru
TbVRu2 crystallizes in the trigonal R3m space group. Tb(1) is bonded in a 7-coordinate geometry to four equivalent V(1), three equivalent Ru(1), and three equivalent Ru(2) atoms. There is one shorter (2.07 Å) and three longer (3.06 Å) Tb(1)-V(1) bond lengths. All Tb(1)-Ru(1) bond lengths are 2.72 Å. All Tb(1)-Ru(2) bond lengths are 2.72 Å. V(1) is bonded in a 11-coordinate geometry to four equivalent Tb(1), three equivalent Ru(1), and four equivalent Ru(2) atoms. All V(1)-Ru(1) bond lengths are 2.72 Å. There is one shorter (2.41 Å) and three longer (2.89 Å) V(1)-Ru(2) bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 7-coordinate geometry to three equivalent Tb(1), three equivalent V(1), and one Ru(2) atom. The Ru(1)-Ru(2) bond length is 2.07 Å. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to three equivalent Tb(1), four equivalent V(1), and one Ru(1) atom.