data_Yb3Co4Ge13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76
_cell_length_b   8.76
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3Co4Ge13
_chemical_formula_sum   'Yb6 Co8 Ge26'
_cell_volume   672.17
_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
  Yb  Yb34  1  0.38  0.19  0.0  1.0
  Yb  Yb35  1  0.38  0.57  0.0  1.0
  Yb  Yb36  1  0.0  0.38  0.19  1.0
  Yb  Yb37  1  0.19  0.0  0.38  1.0
  Yb  Yb38  1  0.57  0.0  0.38  1.0
  Yb  Yb39  1  0.0  0.38  0.57  1.0
  Co  Co0  1  0.19  0.19  0.19  1.0
  Co  Co1  1  0.57  0.19  0.19  1.0
  Co  Co2  1  0.19  0.57  0.19  1.0
  Co  Co3  1  0.57  0.57  0.19  1.0
  Co  Co4  1  0.19  0.19  0.57  1.0
  Co  Co5  1  0.57  0.19  0.57  1.0
  Co  Co6  1  0.19  0.57  0.57  1.0
  Co  Co7  1  0.57  0.57  0.57  1.0
  Ge  Ge8  1  0.0  0.0  0.0  1.0
  Ge  Ge9  1  0.34  0.65  0.0  1.0
  Ge  Ge10  1  0.42  0.65  0.0  1.0
  Ge  Ge11  1  0.34  0.11  0.0  1.0
  Ge  Ge12  1  0.42  0.11  0.0  1.0
  Ge  Ge13  1  0.65  0.0  0.34  1.0
  Ge  Ge14  1  0.11  0.0  0.34  1.0
  Ge  Ge15  1  0.04  0.38  0.73  1.0
  Ge  Ge16  1  0.72  0.38  0.73  1.0
  Ge  Ge17  1  0.0  0.34  0.65  1.0
  Ge  Ge18  1  0.0  0.42  0.65  1.0
  Ge  Ge19  1  0.38  0.73  0.04  1.0
  Ge  Ge20  1  0.38  0.03  0.04  1.0
  Ge  Ge21  1  0.73  0.04  0.38  1.0
  Ge  Ge22  1  0.03  0.04  0.38  1.0
  Ge  Ge23  1  0.38  0.38  0.38  1.0
  Ge  Ge24  1  0.73  0.72  0.38  1.0
  Ge  Ge25  1  0.03  0.72  0.38  1.0
  Ge  Ge26  1  0.38  0.73  0.72  1.0
  Ge  Ge27  1  0.38  0.03  0.72  1.0
  Ge  Ge28  1  0.0  0.34  0.11  1.0
  Ge  Ge29  1  0.0  0.42  0.11  1.0
  Ge  Ge30  1  0.04  0.38  0.03  1.0
  Ge  Ge31  1  0.72  0.38  0.03  1.0
  Ge  Ge32  1  0.65  0.0  0.42  1.0
  Ge  Ge33  1  0.11  0.0  0.42  1.0

data_Yb3Co4Ge13
_symmetry_space_group_name_H-M   R3
_cell_length_a   12.39
_cell_length_b   12.39
_cell_length_c   15.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Yb3Co4Ge13
_chemical_formula_sum   'Yb18 Co24 Ge78'
_cell_volume   2016.52
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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
  Yb  Yb0  9  0.0  0.81  0.19  1.0
  Yb  Yb1  9  0.02  0.41  0.98  1.0
  Co  Co2  9  0.08  0.54  0.11  1.0
  Co  Co3  9  0.21  0.41  0.98  1.0
  Co  Co4  3  0.0  0.0  0.19  1.0
  Co  Co5  3  0.0  0.0  0.57  1.0
  Ge  Ge6  9  0.0  0.35  1.0  1.0
  Ge  Ge7  9  0.0  0.66  0.38  1.0
  Ge  Ge8  9  0.01  0.34  0.72  1.0
  Ge  Ge9  9  0.06  0.36  0.36  1.0
  Ge  Ge10  9  0.1  0.56  0.28  1.0
  Ge  Ge11  9  0.16  0.73  0.84  1.0
  Ge  Ge12  9  0.18  0.71  0.82  1.0
  Ge  Ge13  9  0.21  0.44  0.82  1.0
  Ge  Ge14  3  0.0  0.0  0.0  1.0
  Ge  Ge15  3  0.0  0.0  0.38  1.0

Yb Yb Yb Yb Yb Yb Co Co Co Co Co Co Co Co Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge
Yb Yb Yb Yb Yb Yb Co Co Co Co Co Co Co Co Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge 0 17 o o o 0 18 o o o 0 6 o o o 0 7 o o o 0 14 o o o 0 33 o o - 1 15 o o o 1 16 o o o 1 8 o o o 1 9 o o o 1 32 o o - 2 34 o o o 2 35 o o o 2 6 o o o 2 8 o o o 2 14 o o o 2 37 - o o 3 20 o o o 3 39 o o o 3 6 o o o 3 10 o o o 3 14 o o o 3 31 o - o 4 19 o o o 4 38 o o o 4 7 o o o 4 11 o o o 4 30 o - o 5 23 o o o 5 24 o o o 5 10 o o o 5 12 o o o 5 22 - o o 6 39 o o o 6 28 o o o 6 20 o o o 6 36 o o o 6 35 o o o 6 34 o o o 6 26 o o o 6 18 o o o 6 17 o o o 6 14 o o o 6 29 o o o 7 26 o o o 7 18 o o o 7 17 o o o 7 38 o o o 7 27 o o o 7 19 o o o 7 37 o o o 7 29 o o o 8 36 o o o 8 35 o o o 8 34 o o o 8 31 o o o 8 25 o o o 8 15 o o o 8 16 o o o 8 29 o o o 9 25 o o o 9 15 o o o 9 16 o o o 9 37 o o o 9 30 o o o 9 29 o o o 10 39 o o o 10 28 o o o 10 20 o o o 10 24 o o o 10 23 o o o 10 21 o o o 10 33 o o o 10 29 o o o 11 33 o o o 11 38 o o o 11 27 o o o 11 19 o o o 11 22 o o o 11 29 o o o 12 24 o o o 12 23 o o o 12 21 o o o 12 31 o o o 12 32 o o o 12 29 o o o 13 29 o o o 13 32 o o o 13 22 o o o 13 30 o o o 14 39 o o o 14 36 o o o 14 35 o o o 14 34 o o o 14 28 o o o 14 26 o o o 14 20 o o o 14 18 o o o 14 17 o o o 15 16 o o o 15 25 o o o 15 32 o o - 16 25 o o o 16 32 o o - 17 18 o o o 17 26 o o o 17 33 o o - 18 26 o o o 18 33 o o - 19 38 o o o 19 27 o o o 19 30 o - o 20 39 o o o 20 28 o o o 20 31 o - o 21 23 o o o 21 24 o o o 21 22 - o o 22 23 + o o 22 24 + o o 22 37 o o + 23 24 o o o 25 32 o o - 26 33 o o - 27 38 o o o 27 30 o - o 28 39 o o o 28 31 o - o 30 38 o + o 30 31 + o o 31 39 o + o 32 33 o + o 34 35 o o o 34 36 o o o 34 37 - o o 35 36 o o o 35 37 - o o 36 37 - o o 
Yb3Co4Ge13 crystallizes in the trigonal R3 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 2-coordinate geometry to one Co(1), one Co(2), one Ge(4), and one Ge(5) atom. The Yb(1)-Co(1) bond length is 2.35 Å. The Yb(1)-Co(2) bond length is 2.35 Å. The Yb(1)-Ge(4) bond length is 0.78 Å. The Yb(1)-Ge(5) bond length is 0.78 Å. In the second Yb site, Yb(2) is bonded in a 2-coordinate geometry to one Co(2), one Co(3), one Ge(2), and one Ge(3) atom. The Yb(2)-Co(2) bond length is 2.35 Å. The Yb(2)-Co(3) bond length is 2.35 Å. The Yb(2)-Ge(2) bond length is 0.78 Å. The Yb(2)-Ge(3) bond length is 0.78 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 11-coordinate geometry to three equivalent Yb(1), one Ge(1), one Ge(9), three equivalent Ge(4), and three equivalent Ge(8) atoms. The Co(1)-Ge(1) bond length is 2.88 Å. The Co(1)-Ge(9) bond length is 2.88 Å. All Co(1)-Ge(4) bond lengths are 2.23 Å. All Co(1)-Ge(8) bond lengths are 2.55 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(2), one Ge(10), one Ge(2), one Ge(5), and one Ge(9) atom. The Co(2)-Yb(2) bond length is 2.35 Å. The Co(2)-Ge(10) bond length is 2.55 Å. The Co(2)-Ge(2) bond length is 2.23 Å. The Co(2)-Ge(5) bond length is 2.23 Å. The Co(2)-Ge(9) bond length is 2.88 Å. In the third Co site, Co(2) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(2), one Ge(10), one Ge(2), one Ge(5), and one Ge(9) atom. The Co(2)-Yb(1) bond length is 2.35 Å. The Co(2)-Ge(10) bond length is 2.55 Å. The Co(2)-Ge(2) bond length is 2.23 Å. The Co(2)-Ge(5) bond length is 2.23 Å. The Co(2)-Ge(9) bond length is 2.88 Å. In the fourth Co site, Co(3) is bonded in a 5-coordinate geometry to one Yb(2), one Ge(10), one Ge(3), one Ge(7), and one Ge(9) atom. The Co(3)-Ge(10) bond length is 2.55 Å. The Co(3)-Ge(3) bond length is 2.23 Å. The Co(3)-Ge(7) bond length is 2.55 Å. The Co(3)-Ge(9) bond length is 2.88 Å. In the fifth Co site, Co(3) is bonded in a 5-coordinate geometry to one Yb(2), one Ge(10), one Ge(3), one Ge(7), and one Ge(9) atom. The Co(3)-Yb(2) bond length is 2.35 Å. The Co(3)-Ge(10) bond length is 2.55 Å. The Co(3)-Ge(3) bond length is 2.23 Å. The Co(3)-Ge(7) bond length is 2.55 Å. The Co(3)-Ge(9) bond length is 2.88 Å. In the sixth Co site, Co(4) is bonded in a distorted tetrahedral geometry to one Ge(9) and three equivalent Ge(7) atoms. The Co(4)-Ge(9) bond length is 2.88 Å. All Co(4)-Ge(7) bond lengths are 2.55 Å. There are ten inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one Co(1) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one Yb(2), one Co(2), one Ge(3), and one Ge(6) atom. The Ge(2)-Ge(3) bond length is 0.69 Å. The Ge(2)-Ge(6) bond length is 0.87 Å. In the third Ge site, Ge(3) is bonded in a 2-coordinate geometry to one Yb(2), one Co(3), one Ge(2), and one Ge(6) atom. The Ge(3)-Ge(6) bond length is 0.87 Å. In the fourth Ge site, Ge(4) is bonded in a 2-coordinate geometry to one Yb(1), one Co(1), one Ge(5), and one Ge(8) atom. The Ge(4)-Ge(5) bond length is 0.69 Å. The Ge(4)-Ge(8) bond length is 0.87 Å. In the fifth Ge site, Ge(5) is bonded in a 2-coordinate geometry to one Yb(1), one Co(2), one Ge(4), and one Ge(8) atom. The Ge(5)-Ge(8) bond length is 0.87 Å. In the sixth Ge site, Ge(6) is bonded in a 2-coordinate geometry to one Ge(2) and one Ge(3) atom. In the seventh Ge site, Ge(7) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one Ge(10) atom. The Ge(7)-Ge(10) bond length is 2.61 Å. In the eighth Ge site, Ge(8) is bonded in a 2-coordinate geometry to one Co(1), one Ge(4), and one Ge(5) atom. In the ninth Ge site, Ge(10) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one Ge(7) atom. In the tenth Ge site, Ge(9) is bonded in a body-centered cubic geometry to one Co(1); one Co(4); three Co(2,2); and three Co(3,3) atoms.