data_YbZn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   131.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbZn11
_chemical_formula_sum   'Yb2 Zn22'
_cell_volume   389.79
_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  Yb0  1  0.34  0.0  0.71  1.0
  Yb  Yb1  1  0.0  0.0  0.42  1.0
  Zn  Zn2  1  0.05  0.19  0.65  1.0
  Zn  Zn3  1  0.29  0.15  0.07  1.0
  Zn  Zn4  1  0.63  0.85  0.06  1.0
  Zn  Zn5  1  0.05  0.15  0.06  1.0
  Zn  Zn6  1  0.15  0.29  0.77  1.0
  Zn  Zn7  1  0.19  0.05  0.35  1.0
  Zn  Zn8  1  0.49  0.71  0.36  1.0
  Zn  Zn9  1  0.19  0.29  0.36  1.0
  Zn  Zn10  1  0.63  0.15  0.06  1.0
  Zn  Zn11  1  0.05  0.85  0.06  1.0
  Zn  Zn12  1  0.71  0.15  0.07  1.0
  Zn  Zn13  1  0.63  0.19  0.65  1.0
  Zn  Zn14  1  0.19  0.71  0.36  1.0
  Zn  Zn15  1  0.49  0.29  0.36  1.0
  Zn  Zn16  1  0.19  0.63  0.35  1.0
  Zn  Zn17  1  0.15  0.71  0.77  1.0
  Zn  Zn18  1  0.0  0.0  0.0  1.0
  Zn  Zn19  1  0.0  0.34  0.71  1.0
  Zn  Zn20  1  0.33  0.34  0.57  1.0
  Zn  Zn21  1  0.67  0.34  0.57  1.0
  Zn  Zn22  1  0.0  0.01  0.86  1.0
  Zn  Zn23  1  0.0  0.67  0.86  1.0

data_YbZn11
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.84
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   80.19
_cell_angle_beta   65.61
_cell_angle_gamma   65.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbZn11
_chemical_formula_sum   'Yb2 Zn22'
_cell_volume   389.79
_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  Yb0  1  0.29  0.71  0.34  1.0
  Yb  Yb1  1  0.58  0.42  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.08  0.07  0.14  1.0
  Zn  Zn4  1  0.08  0.07  0.56  1.0
  Zn  Zn5  1  0.09  0.06  0.48  1.0
  Zn  Zn6  1  0.09  0.06  0.89  1.0
  Zn  Zn7  1  0.15  0.86  0.99  1.0
  Zn  Zn8  1  0.28  0.35  0.56  1.0
  Zn  Zn9  1  0.35  0.36  0.48  1.0
  Zn  Zn10  1  0.35  0.36  0.78  1.0
  Zn  Zn11  1  0.52  0.77  0.86  1.0
  Zn  Zn12  1  0.54  0.65  0.44  1.0
  Zn  Zn13  1  0.54  0.65  0.86  1.0
  Zn  Zn14  1  0.63  0.71  0.66  1.0
  Zn  Zn15  1  0.69  0.35  0.14  1.0
  Zn  Zn16  1  0.77  0.57  0.33  1.0
  Zn  Zn17  1  0.77  0.57  0.99  1.0
  Zn  Zn18  1  0.79  0.06  0.2  1.0
  Zn  Zn19  1  0.79  0.06  0.78  1.0
  Zn  Zn20  1  0.81  0.86  0.33  1.0
  Zn  Zn21  1  0.93  0.36  0.2  1.0
  Zn  Zn22  1  0.93  0.36  0.89  1.0
  Zn  Zn23  1  0.94  0.77  0.44  1.0

Yb Yb Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn
Yb Yb Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn 0 17 o - o 0 13 o o o 1 7 o o o 1 9 o o o 1 20 o o o 2 6 o o o 2 19 o o o 2 20 o o o 3 22 o o - 3 18 o o o 3 11 o - o 3 5 o o o 3 15 o o o 4 12 o + o 4 10 o + o 4 18 + + o 4 5 + + o 5 18 o o o 6 19 o o o 7 15 o o o 7 9 o o o 7 20 o o o 8 16 o o o 8 9 o o o 8 14 o o o 9 20 o o o 10 12 o o o 11 18 o + o 11 23 o o - 13 21 o o o 14 16 o o o 15 21 o o o 17 23 o o o 18 22 o o - 
YbZn11 crystallizes in the triclinic P1 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 2-coordinate geometry to one Zn(12), one Zn(16), and one Zn(2) atom. The Yb(1)-Zn(12) bond length is 2.06 Å. The Yb(1)-Zn(16) bond length is 2.06 Å. The Yb(1)-Zn(2) bond length is 3.21 Å. In the second Yb site, Yb(2) is bonded in a 1-coordinate geometry to one Zn(1), one Zn(19), one Zn(3), one Zn(6), one Zn(7), and one Zn(8) atom. The Yb(2)-Zn(1) bond length is 2.02 Å. The Yb(2)-Zn(19) bond length is 2.10 Å. The Yb(2)-Zn(3) bond length is 3.23 Å. The Yb(2)-Zn(6) bond length is 1.57 Å. The Yb(2)-Zn(7) bond length is 3.07 Å. The Yb(2)-Zn(8) bond length is 2.06 Å. There are twenty-two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Yb(2), one Zn(18), and one Zn(5) atom. The Zn(1)-Zn(18) bond length is 1.56 Å. The Zn(1)-Zn(5) bond length is 0.98 Å. In the second Zn site, Zn(2) is bonded in a 7-coordinate geometry to one Yb(1), one Zn(10), one Zn(14), one Zn(17), one Zn(21), one Zn(4), and one Zn(9) atom. The Zn(2)-Zn(10) bond length is 1.90 Å. The Zn(2)-Zn(14) bond length is 2.23 Å. The Zn(2)-Zn(17) bond length is 1.74 Å. The Zn(2)-Zn(21) bond length is 2.10 Å. The Zn(2)-Zn(4) bond length is 2.02 Å. The Zn(2)-Zn(9) bond length is 2.80 Å. In the third Zn site, Zn(3) is bonded in a 5-coordinate geometry to one Yb(2), one Zn(11), one Zn(17), one Zn(4), and one Zn(7) atom. The Zn(3)-Zn(11) bond length is 2.11 Å. The Zn(3)-Zn(17) bond length is 2.64 Å. The Zn(3)-Zn(4) bond length is 2.61 Å. The Zn(3)-Zn(7) bond length is 2.99 Å. In the fourth Zn site, Zn(4) is bonded in a single-bond geometry to one Zn(17), one Zn(2), and one Zn(3) atom. The Zn(4)-Zn(17) bond length is 1.03 Å. In the fifth Zn site, Zn(5) is bonded in a single-bond geometry to one Zn(1) and one Zn(18) atom. The Zn(5)-Zn(18) bond length is 1.56 Å. In the sixth Zn site, Zn(6) is bonded in a distorted single-bond geometry to one Yb(2), one Zn(10), and one Zn(14) atom. The Zn(6)-Zn(10) bond length is 2.23 Å. The Zn(6)-Zn(14) bond length is 1.90 Å. In the seventh Zn site, Zn(7) is bonded in a 4-coordinate geometry to one Yb(2), one Zn(15), one Zn(3), and one Zn(8) atom. The Zn(7)-Zn(15) bond length is 2.11 Å. The Zn(7)-Zn(8) bond length is 2.61 Å. In the eighth Zn site, Zn(8) is bonded in a 2-coordinate geometry to one Yb(2), one Zn(19), and one Zn(7) atom. The Zn(8)-Zn(19) bond length is 1.73 Å. In the ninth Zn site, Zn(9) is bonded in a distorted single-bond geometry to one Zn(11) and one Zn(2) atom. The Zn(9)-Zn(11) bond length is 0.66 Å. In the tenth Zn site, Zn(10) is bonded in a 4-coordinate geometry to one Zn(17), one Zn(2), one Zn(22), and one Zn(6) atom. The Zn(10)-Zn(17) bond length is 1.66 Å. The Zn(10)-Zn(22) bond length is 1.86 Å. In the eleventh Zn site, Zn(11) is bonded in a distorted single-bond geometry to one Zn(3) and one Zn(9) atom. In the twelfth Zn site, Zn(12) is bonded in a distorted bent 120 degrees geometry to one Yb(1), one Zn(18), and one Zn(20) atom. The Zn(12)-Zn(18) bond length is 2.34 Å. The Zn(12)-Zn(20) bond length is 1.40 Å. In the thirteenth Zn site, Zn(13) is bonded in a distorted single-bond geometry to one Zn(15) atom. The Zn(13)-Zn(15) bond length is 0.66 Å. In the fourteenth Zn site, Zn(14) is bonded in a 3-coordinate geometry to one Zn(2), one Zn(20), and one Zn(6) atom. The Zn(14)-Zn(20) bond length is 1.86 Å. In the fifteenth Zn site, Zn(15) is bonded in a distorted single-bond geometry to one Zn(13) and one Zn(7) atom. In the sixteenth Zn site, Zn(16) is bonded in a distorted bent 120 degrees geometry to one Yb(1), one Zn(18), and one Zn(22) atom. The Zn(16)-Zn(18) bond length is 2.34 Å. The Zn(16)-Zn(22) bond length is 1.40 Å. In the seventeenth Zn site, Zn(17) is bonded in a 4-coordinate geometry to one Zn(10), one Zn(2), one Zn(21), one Zn(3), and one Zn(4) atom. The Zn(17)-Zn(21) bond length is 1.21 Å. In the eighteenth Zn site, Zn(18) is bonded in a 4-coordinate geometry to one Zn(1), one Zn(12), one Zn(16), and one Zn(5) atom. In the nineteenth Zn site, Zn(19) is bonded in a 2-coordinate geometry to one Yb(2) and one Zn(8) atom. In the twentieth Zn site, Zn(20) is bonded in a 2-coordinate geometry to one Zn(12) and one Zn(14) atom. In the twenty-first Zn site, Zn(21) is bonded in a distorted single-bond geometry to one Zn(17) and one Zn(2) atom. In the twenty-second Zn site, Zn(22) is bonded in a 2-coordinate geometry to one Zn(10) and one Zn(16) atom.