data_TbFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbFe3
_chemical_formula_sum   'Tb2 Fe6'
_cell_volume   127.56
_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  0.93  0.69  0.22  1.0
  Tb  Tb7  1  0.0  0.38  0.07  1.0
  Fe  Fe0  1  0.0  0.38  0.22  1.0
  Fe  Fe1  1  0.27  0.38  0.22  1.0
  Fe  Fe2  1  0.73  0.38  0.22  1.0
  Fe  Fe3  1  0.2  0.69  0.07  1.0
  Fe  Fe4  1  0.66  0.69  0.07  1.0
  Fe  Fe5  1  0.93  0.69  0.07  1.0

data_TbFe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.29
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TbFe3
_chemical_formula_sum   'Tb2 Fe6'
_cell_volume   127.56
_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  0.46  0.65  1.0
  Fe  Fe1  2  0.07  0.27  0.35  1.0
  Fe  Fe2  2  0.07  0.54  0.35  1.0
  Fe  Fe3  2  0.07  0.8  0.35  1.0

Tb Tb Fe Fe Fe Fe Fe Fe
TbFe3 is Hg_xSn structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one TbFe3 cluster. Tb(1) is bonded in a single-bond geometry to one Fe(1), one Fe(2), and one Fe(3) atom. The Tb(1)-Fe(1) bond length is 0.62 Å. The Tb(1)-Fe(2) bond length is 1.69 Å. The Tb(1)-Fe(3) bond length is 1.59 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Tb(1) and one Fe(2) atom. The Fe(1)-Fe(2) bond length is 1.58 Å. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one Tb(1), one Fe(1), and one Fe(2) atom. The Fe(2)-Fe(2) bond length is 2.19 Å. In the third Fe site, Fe(3) is bonded in a 1-coordinate geometry to one Tb(1) atom.