data_TbBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbBi2Pd
_chemical_formula_sum   'Tb1 Bi2 Pd1'
_cell_volume   99.27
_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  0.68  0.68  0.68  1.0
  Bi  Bi0  1  0.84  0.84  0.84  1.0
  Bi  Bi1  1  0.51  0.51  0.51  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TbBi2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TbBi2Pd
_chemical_formula_sum   'Tb3 Bi6 Pd3'
_cell_volume   297.8
_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  0.32  1.0
  Bi  Bi1  3  0.0  0.0  0.16  1.0
  Bi  Bi2  3  0.0  0.0  0.49  1.0
  Pd  Pd3  3  0.0  0.0  -0.0  1.0

Tb Bi Bi Pd
Tb Bi Bi Pd 0 2 o o o 0 1 o o o 1 3 + + + 
TbPdBi2 crystallizes in the trigonal R3m space group. Tb(1) is bonded to three equivalent Pd(1), one Bi(1), and one Bi(2) atom to form distorted TbBi2Pd3 trigonal bipyramids that share corners with six equivalent Tb(1)Bi2Pd3 trigonal bipyramids and  a cornercorner with one Pd(1)Tb3Bi trigonal pyramid. All Tb(1)-Pd(1) bond lengths are 3.00 Å. The Tb(1)-Bi(1) bond length is 2.07 Å. The Tb(1)-Bi(2) bond length is 2.07 Å. Pd(1) is bonded to three equivalent Tb(1) and one Bi(1) atom to form PdTb3Bi trigonal pyramids that share  a cornercorner with one Tb(1)Bi2Pd3 trigonal bipyramid and corners with six equivalent Pd(1)Tb3Bi trigonal pyramids. The Pd(1)-Bi(1) bond length is 2.07 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted linear geometry to one Tb(1) and one Pd(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Tb(1) atom.