data_Tm10Mn13C18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm10Mn13C18
_chemical_formula_sum   'Tm10 Mn13 C18'
_cell_volume   493.97
_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
  Tm  Tm31  1  0.93  0.93  0.07  1.0
  Tm  Tm32  1  0.93  0.07  0.93  1.0
  Tm  Tm33  1  0.0  0.98  0.49  1.0
  Tm  Tm34  1  0.0  0.49  0.98  1.0
  Tm  Tm35  1  0.07  0.93  0.93  1.0
  Tm  Tm36  1  0.49  0.0  0.98  1.0
  Tm  Tm37  1  0.49  0.98  0.0  1.0
  Tm  Tm38  1  0.05  0.05  0.05  1.0
  Tm  Tm39  1  0.98  0.49  0.0  1.0
  Tm  Tm40  1  0.98  0.0  0.49  1.0
  Mn  Mn18  1  0.0  0.0  0.0  1.0
  Mn  Mn19  1  0.55  0.76  0.24  1.0
  Mn  Mn20  1  0.55  0.24  0.76  1.0
  Mn  Mn21  1  0.43  0.22  0.22  1.0
  Mn  Mn22  1  0.76  0.76  0.41  1.0
  Mn  Mn23  1  0.76  0.41  0.76  1.0
  Mn  Mn24  1  0.22  0.22  0.43  1.0
  Mn  Mn25  1  0.22  0.43  0.22  1.0
  Mn  Mn26  1  0.24  0.55  0.76  1.0
  Mn  Mn27  1  0.24  0.76  0.55  1.0
  Mn  Mn28  1  0.76  0.24  0.55  1.0
  Mn  Mn29  1  0.76  0.55  0.24  1.0
  Mn  Mn30  1  0.41  0.76  0.76  1.0
  C  C0  1  0.34  0.4  0.6  1.0
  C  C1  1  0.29  0.0  0.0  1.0
  C  C2  1  0.67  0.0  0.0  1.0
  C  C3  1  0.34  0.6  0.4  1.0
  C  C4  1  0.6  0.34  0.4  1.0
  C  C5  1  0.6  0.4  0.34  1.0
  C  C6  1  0.4  0.4  0.62  1.0
  C  C7  1  0.4  0.62  0.4  1.0
  C  C8  1  0.0  0.0  0.67  1.0
  C  C9  1  0.0  0.67  0.0  1.0
  C  C10  1  0.64  0.58  0.58  1.0
  C  C11  1  0.62  0.4  0.4  1.0
  C  C12  1  0.0  0.0  0.29  1.0
  C  C13  1  0.0  0.29  0.0  1.0
  C  C14  1  0.4  0.6  0.34  1.0
  C  C15  1  0.4  0.34  0.6  1.0
  C  C16  1  0.58  0.58  0.64  1.0
  C  C17  1  0.58  0.64  0.58  1.0

data_Tm10Mn13C18
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.09
_cell_length_b   14.09
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tm10Mn13C18
_chemical_formula_sum   'Tm30 Mn39 C54'
_cell_volume   1481.91
_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
  Tm  Tm0  18  0.0  0.49  0.49  1.0
  Tm  Tm1  9  0.1  0.05  0.98  1.0
  Tm  Tm2  3  0.0  0.0  0.05  1.0
  Mn  Mn3  18  0.04  0.28  0.52  1.0
  Mn  Mn4  9  0.1  0.55  0.31  1.0
  Mn  Mn5  9  0.14  0.07  0.29  1.0
  Mn  Mn6  3  0.0  0.0  0.0  1.0
  C  C7  18  0.15  0.04  0.45  1.0
  C  C8  9  0.04  0.02  0.6  1.0
  C  C9  9  0.11  0.22  0.89  1.0
  C  C10  9  0.15  0.07  0.47  1.0
  C  C11  9  0.19  0.1  0.1  1.0

Tm Tm Tm Tm Tm Tm Tm Tm Tm Tm 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
Tm Tm Tm Tm Tm Tm Tm Tm Tm Tm 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 10 + + o 0 7 + + o 0 35 + + o 1 10 + o + 1 7 + o + 1 36 + o + 2 9 - + o 2 14 - o o 2 31 o + o 2 35 o + o 3 8 - o + 3 15 - o o 3 32 o o + 3 36 o o + 4 10 o + + 4 7 o + + 4 24 o + + 5 6 o - + 5 22 o - o 5 24 o o + 5 25 o o + 6 22 o o - 6 24 o + o 6 25 o + o 7 10 o o o 8 15 o o - 8 32 + o o 8 36 + o o 9 14 o - o 9 31 + o o 9 35 + o o 11 37 o o o 11 14 o o o 12 38 o o o 12 15 o o o 13 28 o o o 13 34 o o o 13 27 o o o 13 24 o o o 14 21 o o o 14 31 + + o 15 20 o o o 15 32 + o + 16 38 o o o 16 29 o o o 16 23 o o o 16 35 o o o 17 37 o o o 17 30 o o o 17 26 o o o 17 36 o o o 18 23 o o o 18 22 o o o 19 26 o o o 19 22 o o o 20 27 o o o 21 28 o o o 22 25 o + + 23 29 o o o 26 30 o o o 27 34 o o o 28 34 o o o 29 38 o o o 30 37 o o o 33 40 o o o 33 39 o o o 39 40 o o o 
Tm10Mn13C18 crystallizes in the trigonal R3m space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 2-coordinate geometry to one Mn(1), one C(2), and two equivalent C(3) atoms. The Tm(1)-Mn(1) bond length is 1.22 Å. The Tm(1)-C(2) bond length is 1.57 Å. Both Tm(1)-C(3) bond lengths are 2.46 Å. In the second Tm site, Tm(2) is bonded in a distorted single-bond geometry to one Tm(2), one Mn(4), one C(2), and one C(3) atom. The Tm(2)-Tm(2) bond length is 0.28 Å. The Tm(2)-Mn(4) bond length is 1.98 Å. The Tm(2)-C(2) bond length is 1.78 Å. The Tm(2)-C(3) bond length is 1.49 Å. In the third Tm site, Tm(3) is bonded in a single-bond geometry to one Mn(1) atom. The Tm(3)-Mn(1) bond length is 0.46 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(3) is bonded in a 3-coordinate geometry to one C(2) and two equivalent C(1) atoms. The Mn(3)-C(2) bond length is 1.80 Å. Both Mn(3)-C(1) bond lengths are 1.44 Å. In the second Mn site, Mn(4) is bonded in a 9-coordinate geometry to two equivalent Tm(2), two equivalent Mn(2), one C(3), two equivalent C(1), and two equivalent C(5) atoms. Both Mn(4)-Mn(2) bond lengths are 1.85 Å. The Mn(4)-C(3) bond length is 2.15 Å. Both Mn(4)-C(1) bond lengths are 2.68 Å. Both Mn(4)-C(5) bond lengths are 2.68 Å. In the third Mn site, Mn(1) is bonded in a single-bond geometry to one Tm(3) and three equivalent Tm(1) atoms. In the fourth Mn site, Mn(2) is bonded in a 1-coordinate geometry to one Mn(4) and one C(1) atom. The Mn(2)-C(1) bond length is 2.15 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), and one C(4) atom. The C(1)-C(4) bond length is 0.52 Å. In the second C site, C(2) is bonded in a 4-coordinate geometry to one Tm(1), two equivalent Tm(2), and one Mn(3) atom. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Tm(1), two equivalent Tm(2), and one Mn(4) atom. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to two equivalent C(1) atoms. In the fifth C site, C(5) is bonded in a 2-coordinate geometry to two equivalent Mn(4) and two equivalent C(5) atoms. Both C(5)-C(5) bond lengths are 0.89 Å.