data_TbNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNi3
_chemical_formula_sum   'Tb2 Ni6'
_cell_volume   112.99
_cell_formula_units_Z   2
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  Tb6  1  0.0  0.19  0.07  1.0
  Tb  Tb7  1  0.76  0.59  0.21  1.0
  Ni  Ni0  1  0.0  0.41  0.21  1.0
  Ni  Ni1  1  0.54  0.08  0.21  1.0
  Ni  Ni2  1  0.46  0.08  0.21  1.0
  Ni  Ni3  1  0.76  0.37  0.07  1.0
  Ni  Ni4  1  0.23  0.71  0.07  1.0
  Ni  Ni5  1  0.3  0.71  0.07  1.0

data_TbNi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.28
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TbNi3
_chemical_formula_sum   'Tb2 Ni6'
_cell_volume   112.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Tb0  2  0.07  0.38  0.2  1.0
  Ni  Ni1  2  0.07  0.08  0.68  1.0
  Ni  Ni2  2  0.07  0.16  0.68  1.0
  Ni  Ni3  2  0.07  0.62  0.02  1.0

Tb Tb Ni Ni Ni Ni Ni Ni
TbNi3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Ni clusters and two TbNi clusters. In each Ni cluster, there are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Ni(3) atom. The Ni(2)-Ni(3) bond length is 0.41 Å. In the second Ni site, Ni(3) is bonded in a single-bond geometry to one Ni(2) atom. In each TbNi cluster, Tb(1) is bonded in a single-bond geometry to one Ni(1) atom. The Tb(1)-Ni(1) bond length is 1.38 Å. Ni(1) is bonded in a 1-coordinate geometry to one Tb(1) atom.