data_Tb10Mn13C18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   8.74
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb10Mn13C18
_chemical_formula_sum   'Tb10 Mn13 C18'
_cell_volume   513.34
_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  0.52  0.0  0.04  1.0
  Tb  Tb1  1  0.0  0.52  0.04  1.0
  Tb  Tb2  1  0.04  0.0  0.52  1.0
  Tb  Tb3  1  0.04  0.52  0.0  1.0
  Tb  Tb4  1  0.52  0.04  0.0  1.0
  Tb  Tb5  1  0.0  0.04  0.52  1.0
  Tb  Tb6  1  0.94  0.06  0.06  1.0
  Tb  Tb7  1  0.06  0.94  0.06  1.0
  Tb  Tb8  1  0.06  0.06  0.94  1.0
  Tb  Tb9  1  0.99  0.99  0.99  1.0
  Mn  Mn10  1  0.0  0.0  0.0  1.0
  Mn  Mn11  1  0.78  0.22  0.53  1.0
  Mn  Mn12  1  0.51  0.27  0.27  1.0
  Mn  Mn13  1  0.78  0.53  0.22  1.0
  Mn  Mn14  1  0.22  0.78  0.53  1.0
  Mn  Mn15  1  0.53  0.78  0.22  1.0
  Mn  Mn16  1  0.27  0.51  0.27  1.0
  Mn  Mn17  1  0.27  0.27  0.51  1.0
  Mn  Mn18  1  0.53  0.22  0.78  1.0
  Mn  Mn19  1  0.22  0.53  0.78  1.0
  Mn  Mn20  1  0.78  0.78  0.56  1.0
  Mn  Mn21  1  0.56  0.78  0.78  1.0
  Mn  Mn22  1  0.78  0.56  0.78  1.0
  C  C23  1  0.55  0.45  0.63  1.0
  C  C24  1  0.45  0.45  0.45  1.0
  C  C25  1  0.55  0.63  0.45  1.0
  C  C26  1  0.45  0.55  0.63  1.0
  C  C27  1  0.63  0.55  0.45  1.0
  C  C28  1  0.45  0.45  0.45  1.0
  C  C29  1  0.45  0.45  0.45  1.0
  C  C30  1  0.63  0.45  0.55  1.0
  C  C31  1  0.45  0.63  0.55  1.0
  C  C32  1  0.6  0.6  0.41  1.0
  C  C33  1  0.41  0.6  0.6  1.0
  C  C34  1  0.6  0.41  0.6  1.0
  C  C35  1  0.0  0.0  0.75  1.0
  C  C36  1  0.34  0.0  0.0  1.0
  C  C37  1  0.0  0.75  0.0  1.0
  C  C38  1  0.75  0.0  0.0  1.0
  C  C39  1  0.0  0.34  0.0  1.0
  C  C40  1  0.0  0.0  0.34  1.0

data_Tb10Mn13C18
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.27
_cell_length_b   14.27
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tb10Mn13C18
_chemical_formula_sum   'Tb30 Mn39 C54'
_cell_volume   1540.01
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.0  0.48  0.52  1.0
  Tb  Tb1  9  0.04  0.07  0.02  1.0
  Tb  Tb2  3  0.0  0.0  0.99  1.0
  Mn  Mn3  18  0.02  0.29  0.51  1.0
  Mn  Mn4  9  0.07  0.15  0.7  1.0
  Mn  Mn5  9  0.17  0.08  0.35  1.0
  Mn  Mn6  3  0.0  0.0  -0.0  1.0
  C  C7  18  0.01  0.1  0.54  1.0
  C  C8  9  0.01  0.0  0.45  1.0
  C  C9  9  0.06  0.13  0.54  1.0
  C  C10  9  0.08  0.17  0.92  1.0
  C  C11  9  0.22  0.44  0.78  1.0

Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn C C C C C C C C C C C C C C C C C C 0 4 o o o 0 11 o o o 0 12 o o o 0 15 o - o 0 19 o - - 0 36 o o o 1 3 o o o 1 13 - o o 1 14 o o o 1 16 o o o 1 18 - o - 1 39 o o o 2 5 o o o 2 13 - - o 2 14 o - o 2 17 o o o 2 18 o o o 2 40 o o o 3 11 - o - 3 15 o o o 3 16 o o o 3 19 o o - 3 39 o o o 4 12 o o o 4 13 o o o 4 14 o - - 4 18 o o - 4 36 o o o 5 11 - o o 5 15 - - o 5 17 o o o 5 19 o o o 5 40 o o o 6 10 + o o 6 9 o - - 6 38 o o o 7 10 o + o 7 9 - o - 7 37 o o o 8 10 o o + 8 9 - - o 8 35 o o o 9 10 + + + 11 15 o - o 11 30 o o o 11 12 o o o 11 34 o o o 11 23 o o o 11 22 o o o 11 19 + o o 12 36 o o o 12 32 o o o 12 29 o o o 12 28 o o o 12 27 o o o 12 24 o o o 12 34 o o o 12 30 o o o 12 13 o o o 13 18 o o - 13 32 o o o 13 27 o o o 13 25 o o o 13 20 o o o 13 14 + o o 14 31 o o o 14 16 o o o 14 33 o o o 14 26 o o o 14 18 o + o 14 21 o o o 15 19 o o - 15 16 o o o 15 32 o o o 15 27 o o o 15 25 o o o 15 20 o o o 16 39 o o o 16 29 o o o 16 28 o o o 16 24 o o o 16 33 o o o 16 32 o o o 16 31 o o o 16 25 o o o 17 40 o o o 17 33 o o o 17 34 o o o 17 29 o o o 17 28 o o o 17 26 o o o 17 24 o o o 17 23 o o o 17 18 o o o 17 19 o o o 18 34 o o o 18 30 o o o 18 23 o o o 18 22 o o o 19 33 o o o 19 31 o o o 19 26 o o o 19 21 o o o 20 32 o o o 20 27 o o o 20 25 o o o 21 33 o o o 21 31 o o o 21 26 o o o 22 34 o o o 22 30 o o o 22 23 o o o 23 34 o o o 24 29 o o o 24 28 o o o 25 32 o o o 26 33 o o o 27 32 o o o 28 29 o o o 30 34 o o o 31 33 o o o 
Tb10Mn13C18 crystallizes in the trigonal R3m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 2-coordinate geometry to one Tb(1), one Mn(2), one C(4), and one C(5) atom. The Tb(1)-Tb(1) bond length is 0.63 Å. The Tb(1)-Mn(2) bond length is 2.87 Å. The Tb(1)-C(4) bond length is 2.12 Å. The Tb(1)-C(5) bond length is 1.50 Å. In the second Tb site, Tb(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1), one C(4), and two equivalent C(5) atoms. The Tb(2)-Mn(1) bond length is 0.92 Å. The Tb(2)-C(4) bond length is 1.48 Å. Both Tb(2)-C(5) bond lengths are 2.62 Å. In the third Tb site, Tb(3) is bonded in a single-bond geometry to one Mn(1) atom. The Tb(3)-Mn(1) bond length is 0.10 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(3) is bonded in a 4-coordinate geometry to one C(2), one C(5), and two equivalent C(1) atoms. The Mn(3)-C(2) bond length is 2.16 Å. The Mn(3)-C(5) bond length is 2.20 Å. Both Mn(3)-C(1) bond lengths are 2.10 Å. In the second Mn site, Mn(4) is bonded in a 4-coordinate geometry to one C(3), one C(4), and two equivalent C(1) atoms. The Mn(4)-C(3) bond length is 1.50 Å. The Mn(4)-C(4) bond length is 1.86 Å. Both Mn(4)-C(1) bond lengths are 1.61 Å. In the third Mn site, Mn(1) is bonded in a single-bond geometry to one Tb(3) and three equivalent Tb(2) atoms. In the fourth Mn site, Mn(2) is bonded in a 3-coordinate geometry to one Tb(1), one C(1), and one C(3) atom. The Mn(2)-C(1) bond length is 2.63 Å. The Mn(2)-C(3) bond length is 2.67 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one Mn(2), one Mn(3), one Mn(4), and one C(3) atom. The C(1)-C(3) bond length is 0.66 Å. In the second C site, C(2) is bonded in a 2-coordinate geometry to one Mn(3) and two equivalent C(2) atoms. Both C(2)-C(2) bond lengths are 0.12 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one Mn(4), two equivalent Mn(2), and two equivalent C(1) atoms. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one Tb(2), two equivalent Tb(1), and one Mn(4) atom. In the fifth C site, C(5) is bonded to two equivalent Tb(1), two equivalent Tb(2), and one Mn(3) atom to form distorted corner-sharing CTb4Mn trigonal bipyramids.