data_Yb3Co4Sn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59
_cell_length_b   9.59
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3Co4Sn13
_chemical_formula_sum   'Yb6 Co8 Sn26'
_cell_volume   881.88
_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  0.19  0.0  0.79  1.0
  Yb  Yb35  1  0.4  0.0  0.79  1.0
  Yb  Yb36  1  0.0  0.79  0.19  1.0
  Yb  Yb37  1  0.79  0.19  0.0  1.0
  Yb  Yb38  1  0.79  0.4  0.0  1.0
  Yb  Yb39  1  0.0  0.79  0.4  1.0
  Co  Co0  1  0.19  0.19  0.19  1.0
  Co  Co1  1  0.4  0.19  0.19  1.0
  Co  Co2  1  0.19  0.4  0.19  1.0
  Co  Co3  1  0.4  0.4  0.19  1.0
  Co  Co4  1  0.19  0.19  0.4  1.0
  Co  Co5  1  0.4  0.19  0.4  1.0
  Co  Co6  1  0.19  0.4  0.4  1.0
  Co  Co7  1  0.4  0.4  0.4  1.0
  Sn  Sn8  1  0.79  0.79  0.79  1.0
  Sn  Sn9  1  0.69  0.31  0.79  1.0
  Sn  Sn10  1  0.9  0.31  0.79  1.0
  Sn  Sn11  1  0.69  0.28  0.79  1.0
  Sn  Sn12  1  0.9  0.28  0.79  1.0
  Sn  Sn13  1  0.79  0.69  0.31  1.0
  Sn  Sn14  1  0.79  0.9  0.31  1.0
  Sn  Sn15  1  0.0  0.07  0.69  1.0
  Sn  Sn16  1  0.0  0.52  0.69  1.0
  Sn  Sn17  1  0.31  0.79  0.69  1.0
  Sn  Sn18  1  0.28  0.79  0.69  1.0
  Sn  Sn19  1  0.69  0.0  0.07  1.0
  Sn  Sn20  1  0.9  0.0  0.07  1.0
  Sn  Sn21  1  0.07  0.69  0.0  1.0
  Sn  Sn22  1  0.52  0.69  0.0  1.0
  Sn  Sn23  1  0.0  0.0  0.0  1.0
  Sn  Sn24  1  0.07  0.9  0.0  1.0
  Sn  Sn25  1  0.52  0.9  0.0  1.0
  Sn  Sn26  1  0.69  0.0  0.52  1.0
  Sn  Sn27  1  0.9  0.0  0.52  1.0
  Sn  Sn28  1  0.31  0.79  0.9  1.0
  Sn  Sn29  1  0.28  0.79  0.9  1.0
  Sn  Sn30  1  0.0  0.07  0.9  1.0
  Sn  Sn31  1  0.0  0.52  0.9  1.0
  Sn  Sn32  1  0.79  0.69  0.28  1.0
  Sn  Sn33  1  0.79  0.9  0.28  1.0

data_Yb3Co4Sn13
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.56
_cell_length_b   13.56
_cell_length_c   16.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Yb3Co4Sn13
_chemical_formula_sum   'Yb18 Co24 Sn78'
_cell_volume   2645.65
_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  0.6  0.4  1.0
  Yb  Yb1  9  0.0  0.8  1.0  1.0
  Co  Co2  9  0.07  0.14  0.33  1.0
  Co  Co3  9  0.14  0.07  0.26  1.0
  Co  Co4  3  0.0  0.0  0.19  1.0
  Co  Co5  3  0.0  0.0  0.4  1.0
  Sn  Sn6  9  0.01  0.09  0.99  1.0
  Sn  Sn7  9  0.02  0.56  0.26  1.0
  Sn  Sn8  9  0.04  0.47  0.47  1.0
  Sn  Sn9  9  0.04  0.57  0.27  1.0
  Sn  Sn10  9  0.08  0.23  0.92  1.0
  Sn  Sn11  9  0.11  0.4  0.4  1.0
  Sn  Sn12  9  0.13  0.36  0.67  1.0
  Sn  Sn13  9  0.14  0.38  0.66  1.0
  Sn  Sn14  3  0.0  0.0  0.0  1.0
  Sn  Sn15  3  0.0  0.0  0.79  1.0

Yb Yb Yb Yb Yb Yb Co Co Co Co Co Co Co Co Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn
Yb Yb Yb Yb Yb Yb Co Co Co Co Co Co Co Co Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn 0 30 o - + 0 21 o o o 0 36 o o o 0 24 o - o 0 23 o - o 0 35 o - o 0 34 o - o 0 1 o o o 1 24 o - o 1 23 o - o 1 35 o - o 1 34 o - o 1 31 o - + 2 38 - o o 2 19 - o o 2 26 - + o 2 39 - o o 2 20 - o o 2 27 o o o 2 30 o o o 2 5 o o o 3 25 o o o 3 17 o o - 3 15 o o - 3 36 + o - 3 26 o o o 3 18 o o - 3 16 o o - 3 4 o o o 4 17 o o - 4 15 o o - 4 18 o o - 4 16 o o - 4 37 + o - 5 38 - o o 5 19 - o o 5 39 - o o 5 20 - o o 5 33 - + o 6 10 o o o 6 8 o o o 6 7 o o o 7 11 o o o 7 9 o o o 8 12 o o o 8 9 o o o 9 13 o o o 10 12 o o o 10 11 o o o 11 13 o o o 12 13 o o o 14 28 o o + 14 32 o + o 14 25 o + + 14 31 o o + 14 22 + o o 14 27 + o + 14 37 + o o 14 21 + + o 14 33 o + o 14 29 + + + 14 36 + + o 14 30 + o + 14 26 o + + 15 17 o o o 16 18 o o o 16 22 + o o 16 37 + o o 18 21 + o o 19 38 o o o 20 39 o o o 20 32 o + o 20 33 o + o 21 33 - o o 21 36 o o o 22 37 o o o 23 24 o o o 25 31 o - o 25 39 o - o 25 26 o o o 26 29 + o o 27 37 o o - 27 35 o o - 27 30 o o o 28 34 o o - 28 31 o o o 29 30 o - o 29 36 o o - 31 34 o o - 32 33 o o o 34 35 o o o 
Yb3Co4Sn13 crystallizes in the trigonal R3 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Yb(2), one Sn(4), one Sn(5), one Sn(6), and two equivalent Sn(8) atoms. The Yb(1)-Yb(2) bond length is 1.97 Å. The Yb(1)-Sn(4) bond length is 2.34 Å. The Yb(1)-Sn(5) bond length is 2.34 Å. The Yb(1)-Sn(6) bond length is 2.22 Å. There is one shorter (2.22 Å) and one longer (2.47 Å) Yb(1)-Sn(8) bond length. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one Yb(1), one Sn(10), one Sn(2), one Sn(3), one Sn(4), and one Sn(7) atom. The Yb(2)-Sn(10) bond length is 2.47 Å. The Yb(2)-Sn(2) bond length is 2.34 Å. The Yb(2)-Sn(3) bond length is 2.34 Å. The Yb(2)-Sn(4) bond length is 3.91 Å. The Yb(2)-Sn(7) bond length is 3.88 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Co(2) and one Sn(9) atom. All Co(1)-Co(2) bond lengths are 1.97 Å. The Co(1)-Sn(9) bond length is 3.19 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(3) atoms. Both Co(2)-Co(3) bond lengths are 1.97 Å. In the third Co site, Co(3) is bonded in a 3-coordinate geometry to one Co(4) and two equivalent Co(2) atoms. The Co(3)-Co(4) bond length is 1.97 Å. In the fourth Co site, Co(4) is bonded in a distorted T-shaped geometry to three equivalent Co(3) atoms. In the fifth Co site, Co(1) is bonded in a 4-coordinate geometry to three equivalent Co(2) and one Sn(9) atom. All Co(1)-Co(2) bond lengths are 1.97 Å. The Co(1)-Sn(9) bond length is 3.19 Å. In the sixth Co site, Co(3) is bonded in a 3-coordinate geometry to one Co(4) and two equivalent Co(2) atoms. The Co(3)-Co(4) bond length is 1.97 Å. Both Co(3)-Co(2) bond lengths are 1.97 Å. There are twelve inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 13-coordinate geometry to one Sn(9), three equivalent Sn(10), three equivalent Sn(6), three equivalent Sn(7), and three equivalent Sn(8) atoms. The Sn(1)-Sn(9) bond length is 3.41 Å. All Sn(1)-Sn(10) bond lengths are 3.47 Å. All Sn(1)-Sn(6) bond lengths are 3.47 Å. All Sn(1)-Sn(7) bond lengths are 3.47 Å. All Sn(1)-Sn(8) bond lengths are 3.47 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Yb(2) and one Sn(4) atom. The Sn(2)-Sn(4) bond length is 0.31 Å. In the third Sn site, Sn(3) is bonded in a 2-coordinate geometry to one Yb(2), one Sn(10), one Sn(5), and one Sn(7) atom. The Sn(3)-Sn(10) bond length is 2.43 Å. The Sn(3)-Sn(5) bond length is 0.31 Å. The Sn(3)-Sn(7) bond length is 2.43 Å. In the fourth Sn site, Sn(4) is bonded in a 2-coordinate geometry to one Yb(1), one Yb(2), and one Sn(2) atom. In the fifth Sn site, Sn(5) is bonded in a 2-coordinate geometry to one Yb(1) and one Sn(3) atom. In the sixth Sn site, Sn(6) is bonded in a 1-coordinate geometry to one Yb(1), one Sn(1), one Sn(10), and one Sn(8) atom. The Sn(6)-Sn(10) bond length is 2.05 Å. The Sn(6)-Sn(8) bond length is 2.01 Å. In the seventh Sn site, Sn(7) is bonded in a 3-coordinate geometry to one Yb(2), one Sn(1), one Sn(10), and one Sn(3) atom. The Sn(7)-Sn(1) bond length is 3.47 Å. The Sn(7)-Sn(10) bond length is 2.01 Å. In the eighth Sn site, Sn(8) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one Sn(1), one Sn(6), and one Sn(9) atom. The Sn(8)-Sn(9) bond length is 1.19 Å. In the ninth Sn site, Sn(9) is bonded in a trigonal planar geometry to one Co(1), one Sn(1), and three equivalent Sn(8) atoms. In the tenth Sn site, Sn(10) is bonded in a 4-coordinate geometry to one Yb(2), one Sn(1), one Sn(3), one Sn(6), and one Sn(7) atom. The Sn(10)-Sn(1) bond length is 3.47 Å. In the eleventh Sn site, Sn(8) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one Sn(1), one Sn(6), and one Sn(9) atom. There is one shorter (2.22 Å) and one longer (2.47 Å) Sn(8)-Yb(1) bond length. The Sn(8)-Sn(1) bond length is 3.47 Å. The Sn(8)-Sn(6) bond length is 2.01 Å. The Sn(8)-Sn(9) bond length is 1.19 Å. In the twelfth Sn site, Sn(1) is bonded in a 13-coordinate geometry to one Sn(9), three equivalent Sn(10), three equivalent Sn(6), three equivalent Sn(7), and three equivalent Sn(8) atoms. The Sn(1)-Sn(9) bond length is 3.41 Å. All Sn(1)-Sn(6) bond lengths are 3.47 Å.