data_TbNdCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNdCo4
_chemical_formula_sum   'Tb1 Nd1 Co4'
_cell_volume   95.9
_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  Tb0  1  0.82  0.82  0.82  1.0
  Nd  Nd1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.54  0.54  0.54  1.0
  Co  Co3  1  0.54  0.73  0.73  1.0
  Co  Co4  1  0.73  0.54  0.73  1.0
  Co  Co5  1  0.73  0.73  0.54  1.0

data_TbNdCo4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TbNdCo4
_chemical_formula_sum   'Tb3 Nd3 Co12'
_cell_volume   287.71
_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  0.18  1.0
  Nd  Nd1  3  0.0  0.0  0.0  1.0
  Co  Co2  9  0.13  0.06  0.34  1.0
  Co  Co3  3  0.0  0.0  0.46  1.0

Tb Nd Co Co Co Co
TbNdCo4 crystallizes in the trigonal R3m space group. Tb(1) is bonded in a 7-coordinate geometry to one Nd(1), three equivalent Co(1), and three equivalent Co(2) atoms. The Tb(1)-Nd(1) bond length is 2.31 Å. All Tb(1)-Co(1) bond lengths are 3.04 Å. All Tb(1)-Co(2) bond lengths are 1.99 Å. Nd(1) is bonded in a distorted trigonal pyramidal geometry to one Tb(1) and three equivalent Co(2) atoms. All Nd(1)-Co(2) bond lengths are 2.40 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to three equivalent Tb(1) and three equivalent Co(2) atoms. All Co(1)-Co(2) bond lengths are 1.70 Å. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one Tb(1), one Nd(1), one Co(1), and two equivalent Co(2) atoms. Both Co(2)-Co(2) bond lengths are 0.98 Å.