The crystal structure described by Nd3Zn22 crystallizes in the monoclinic C2/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to one Zn(10), one Zn(7), one Zn(8), one Zn(9), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), three equivalent Zn(5), and three equivalent Zn(6) atoms. In the second Nd site, Nd(2) is bonded in a 20-coordinate geometry to two equivalent Zn(1), two equivalent Zn(10), two equivalent Zn(11), two equivalent Zn(12), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(7), two equivalent Zn(8), and two equivalent Zn(9) atoms. There are twelve inequivalent Zn sites. In the first Zn site, Zn(7) is bonded to one Nd(1), one Nd(2), one Zn(1), one Zn(10), one Zn(11), one Zn(4), one Zn(5), one Zn(6), one Zn(8), one Zn(9), and two equivalent Zn(2) atoms to form distorted ZnNd2Zn10 cuboctahedra that share  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(7)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(8)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(1)Nd3Zn9 cuboctahedra,  a cornercorner with one Zn(2)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(9)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(11)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(12)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra,  a faceface with one Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(3)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(1)Nd3Zn9 cuboctahedra, and faces with three equivalent Zn(2)Nd3Zn9 cuboctahedra. In the second Zn site, Zn(8) is bonded to one Nd(1), one Nd(2), one Zn(1), one Zn(10), one Zn(12), one Zn(4), one Zn(5), one Zn(6), one Zn(7), one Zn(9), and two equivalent Zn(3) atoms to form distorted ZnNd2Zn10 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(7)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(8)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(3)Nd3Zn9 cuboctahedra,  a cornercorner with one Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(2)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(10)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(11)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(12)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra,  a faceface with one Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(2)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(3)Nd3Zn9 cuboctahedra, and faces with three equivalent Zn(4)Nd3Zn9 cuboctahedra. In the third Zn site, Zn(1) is bonded to one Nd(2), two equivalent Nd(1), one Zn(10), one Zn(11), one Zn(2), one Zn(4), one Zn(5), one Zn(6), one Zn(7), one Zn(8), and one Zn(9) atom to form distorted ZnNd3Zn9 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(7)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(2)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(8)Nd2Zn10 cuboctahedra, corners with three equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(3)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(10)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(12)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(7)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(4)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra,  a faceface with one Zn(4)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(3)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(9)Nd2Zn10 cuboctahedra, and faces with three equivalent Zn(2)Nd3Zn9 cuboctahedra. In the fourth Zn site, Zn(2) is bonded to one Nd(2), two equivalent Nd(1), one Zn(1), one Zn(10), one Zn(11), one Zn(2), one Zn(9), two equivalent Zn(6), and two equivalent Zn(7) atoms to form distorted ZnNd3Zn9 cuboctahedra that share  a cornercorner with one Zn(7)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(2)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(8)Nd2Zn10 cuboctahedra, corners with four equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(4)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(10)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(12)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(8)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(3)Nd3Zn9 cuboctahedra,  a faceface with one Zn(2)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(11)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(9)Nd2Zn10 cuboctahedra, and faces with three equivalent Zn(1)Nd3Zn9 cuboctahedra. In the fifth Zn site, Zn(9) is bonded to one Nd(1), one Nd(2), one Zn(1), one Zn(10), one Zn(11), one Zn(12), one Zn(2), one Zn(3), one Zn(4), one Zn(6), one Zn(7), and one Zn(8) atom to form distorted ZnNd2Zn10 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(2)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with four equivalent Zn(7)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(3)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(1)Nd3Zn9 cuboctahedra, and faces with three equivalent Zn(2)Nd3Zn9 cuboctahedra. In the sixth Zn site, Zn(3) is bonded to one Nd(2), two equivalent Nd(1), one Zn(10), one Zn(12), one Zn(3), one Zn(4), one Zn(9), two equivalent Zn(5), and two equivalent Zn(8) atoms to form distorted ZnNd3Zn9 cuboctahedra that share  a cornercorner with one Zn(8)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(3)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(11)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(7)Nd2Zn10 cuboctahedra, corners with four equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(11)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(7)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(9)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(2)Nd3Zn9 cuboctahedra,  a faceface with one Zn(3)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(12)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(8)Nd2Zn10 cuboctahedra, and faces with three equivalent Zn(4)Nd3Zn9 cuboctahedra. In the seventh Zn site, Zn(10) is bonded to one Nd(1), one Nd(2), one Zn(1), one Zn(11), one Zn(12), one Zn(2), one Zn(3), one Zn(4), one Zn(5), one Zn(7), one Zn(8), and one Zn(9) atom to form distorted ZnNd2Zn10 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(2)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with four equivalent Zn(8)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(2)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(3)Nd3Zn9 cuboctahedra, and faces with three equivalent Zn(4)Nd3Zn9 cuboctahedra. In the eighth Zn site, Zn(4) is bonded to one Nd(2), two equivalent Nd(1), one Zn(1), one Zn(10), one Zn(12), one Zn(3), one Zn(5), one Zn(6), one Zn(7), one Zn(8), and one Zn(9) atom to form distorted ZnNd3Zn9 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(8)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(7)Nd2Zn10 cuboctahedra, corners with three equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(11)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(8)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(9)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(1)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra,  a faceface with one Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(2)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(8)Nd2Zn10 cuboctahedra, and faces with three equivalent Zn(3)Nd3Zn9 cuboctahedra. In the ninth Zn site, Zn(11) is bonded to two equivalent Nd(2), two equivalent Zn(1), two equivalent Zn(10), two equivalent Zn(2), two equivalent Zn(7), and two equivalent Zn(9) atoms to form ZnNd2Zn10 cuboctahedra that share corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(11)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(8)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(3)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(7)Nd2Zn10 cuboctahedra, edges with two equivalent Zn(8)Nd2Zn10 cuboctahedra, edges with two equivalent Zn(3)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(4)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(12)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, and faces with four equivalent Zn(2)Nd3Zn9 cuboctahedra. In the tenth Zn site, Zn(12) is bonded to two equivalent Nd(2), two equivalent Zn(10), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(8), and two equivalent Zn(9) atoms to form ZnNd2Zn10 cuboctahedra that share corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(11)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(7)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(2)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(7)Nd2Zn10 cuboctahedra, edges with two equivalent Zn(8)Nd2Zn10 cuboctahedra, edges with two equivalent Zn(1)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(2)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(11)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, and faces with four equivalent Zn(3)Nd3Zn9 cuboctahedra. In the eleventh Zn site, Zn(5) is bonded in a 12-coordinate geometry to three equivalent Nd(1), one Zn(1), one Zn(10), one Zn(4), one Zn(5), one Zn(6), one Zn(7), one Zn(8), and two equivalent Zn(3) atoms. In the twelfth Zn site, Zn(6) is bonded in a 12-coordinate geometry to three equivalent Nd(1), one Zn(1), one Zn(4), one Zn(5), one Zn(6), one Zn(7), one Zn(8), one Zn(9), and two equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_Nd3Zn22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.786
_cell_length_b   8.786
_cell_length_c   12.217
_cell_angle_alpha   111.064
_cell_angle_beta   111.066
_cell_angle_gamma   89.961
_symmetry_Int_Tables_number   1
_cell_volume   812.221
_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
  Nd  Nd0  1  0.496  0.746  0.993  1.0
  Nd  Nd1  1  0.746  0.496  0.493  1.0
  Nd  Nd2  1  0.504  0.254  0.007  1.0
  Nd  Nd3  1  0.254  0.504  0.507  1.0
  Nd  Nd4  1  0.125  0.875  0.250  1.0
  Nd  Nd5  1  0.875  0.125  0.750  1.0
  Zn  Zn6  1  0.421  0.196  0.378  1.0
  Zn  Zn7  1  0.421  0.682  0.377  1.0
  Zn  Zn8  1  0.196  0.421  0.878  1.0
  Zn  Zn9  1  0.196  0.956  0.877  1.0
  Zn  Zn10  1  0.956  0.196  0.377  1.0
  Zn  Zn11  1  0.956  0.683  0.377  1.0
  Zn  Zn12  1  0.682  0.421  0.877  1.0
  Zn  Zn13  1  0.683  0.956  0.877  1.0
  Zn  Zn14  1  0.579  0.804  0.622  1.0
  Zn  Zn15  1  0.579  0.318  0.623  1.0
  Zn  Zn16  1  0.804  0.579  0.122  1.0
  Zn  Zn17  1  0.804  0.044  0.123  1.0
  Zn  Zn18  1  0.044  0.804  0.623  1.0
  Zn  Zn19  1  0.044  0.317  0.623  1.0
  Zn  Zn20  1  0.318  0.579  0.123  1.0
  Zn  Zn21  1  0.317  0.044  0.123  1.0
  Zn  Zn22  1  0.148  0.622  0.746  1.0
  Zn  Zn23  1  0.622  0.148  0.246  1.0
  Zn  Zn24  1  0.623  0.598  0.246  1.0
  Zn  Zn25  1  0.598  0.623  0.746  1.0
  Zn  Zn26  1  0.852  0.378  0.254  1.0
  Zn  Zn27  1  0.378  0.852  0.754  1.0
  Zn  Zn28  1  0.377  0.402  0.754  1.0
  Zn  Zn29  1  0.402  0.377  0.254  1.0
  Zn  Zn30  1  0.486  0.884  0.267  1.0
  Zn  Zn31  1  0.884  0.486  0.767  1.0
  Zn  Zn32  1  0.884  0.779  0.767  1.0
  Zn  Zn33  1  0.779  0.884  0.267  1.0
  Zn  Zn34  1  0.514  0.116  0.733  1.0
  Zn  Zn35  1  0.116  0.514  0.233  1.0
  Zn  Zn36  1  0.116  0.221  0.233  1.0
  Zn  Zn37  1  0.221  0.116  0.733  1.0
  Zn  Zn38  1  0.835  0.736  0.972  1.0
  Zn  Zn39  1  0.736  0.835  0.472  1.0
  Zn  Zn40  1  0.736  0.137  0.473  1.0
  Zn  Zn41  1  0.137  0.736  0.973  1.0
  Zn  Zn42  1  0.165  0.264  0.028  1.0
  Zn  Zn43  1  0.264  0.165  0.528  1.0
  Zn  Zn44  1  0.264  0.863  0.527  1.0
  Zn  Zn45  1  0.863  0.264  0.027  1.0
  Zn  Zn46  1  0.500  0.000  0.500  1.0
  Zn  Zn47  1  0.000  0.500  0.000  1.0
  Zn  Zn48  1  0.000  0.000  0.000  1.0
  Zn  Zn49  1  1.000  1.000  0.500  1.0
[/CIF]
.
The crystal structure described by Nd3Zn22 crystallizes in the monoclinic C2/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to one Zn(10), one Zn(7), one Zn(8), one Zn(9), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), three equivalent Zn(5), and three equivalent Zn(6) atoms. In the second Nd site, Nd(2) is bonded in a 20-coordinate geometry to two equivalent Zn(1), two equivalent Zn(10), two equivalent Zn(11), two equivalent Zn(12), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(7), two equivalent Zn(8), and two equivalent Zn(9) atoms. There are twelve inequivalent Zn sites. In the first Zn site, Zn(7) is bonded to one Nd(1), one Nd(2), one Zn(1), one Zn(10), one Zn(11), one Zn(4), one Zn(5), one Zn(6), one Zn(8), one Zn(9), and two equivalent Zn(2) atoms to form distorted ZnNd2Zn10 cuboctahedra that share  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(7)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(8)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(1)Nd3Zn9 cuboctahedra,  a cornercorner with one Zn(2)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(9)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(11)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(12)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra,  a faceface with one Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(3)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(1)Nd3Zn9 cuboctahedra, and faces with three equivalent Zn(2)Nd3Zn9 cuboctahedra. In the second Zn site, Zn(8) is bonded to one Nd(1), one Nd(2), one Zn(1), one Zn(10), one Zn(12), one Zn(4), one Zn(5), one Zn(6), one Zn(7), one Zn(9), and two equivalent Zn(3) atoms to form distorted ZnNd2Zn10 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(7)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(8)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(3)Nd3Zn9 cuboctahedra,  a cornercorner with one Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(2)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(10)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(11)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(12)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra,  a faceface with one Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(2)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(3)Nd3Zn9 cuboctahedra, and faces with three equivalent Zn(4)Nd3Zn9 cuboctahedra. In the third Zn site, Zn(1) is bonded to one Nd(2), two equivalent Nd(1), one Zn(10), one Zn(11), one Zn(2), one Zn(4), one Zn(5), one Zn(6), one Zn(7), one Zn(8), and one Zn(9) atom to form distorted ZnNd3Zn9 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(7)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(2)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(8)Nd2Zn10 cuboctahedra, corners with three equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(3)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(10)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(12)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(7)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(4)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra,  a faceface with one Zn(4)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(3)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(9)Nd2Zn10 cuboctahedra, and faces with three equivalent Zn(2)Nd3Zn9 cuboctahedra. In the fourth Zn site, Zn(2) is bonded to one Nd(2), two equivalent Nd(1), one Zn(1), one Zn(10), one Zn(11), one Zn(2), one Zn(9), two equivalent Zn(6), and two equivalent Zn(7) atoms to form distorted ZnNd3Zn9 cuboctahedra that share  a cornercorner with one Zn(7)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(2)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(8)Nd2Zn10 cuboctahedra, corners with four equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(4)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(10)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(12)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(8)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(3)Nd3Zn9 cuboctahedra,  a faceface with one Zn(2)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(11)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(9)Nd2Zn10 cuboctahedra, and faces with three equivalent Zn(1)Nd3Zn9 cuboctahedra. In the fifth Zn site, Zn(9) is bonded to one Nd(1), one Nd(2), one Zn(1), one Zn(10), one Zn(11), one Zn(12), one Zn(2), one Zn(3), one Zn(4), one Zn(6), one Zn(7), and one Zn(8) atom to form distorted ZnNd2Zn10 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(2)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with four equivalent Zn(7)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(3)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(1)Nd3Zn9 cuboctahedra, and faces with three equivalent Zn(2)Nd3Zn9 cuboctahedra. In the sixth Zn site, Zn(3) is bonded to one Nd(2), two equivalent Nd(1), one Zn(10), one Zn(12), one Zn(3), one Zn(4), one Zn(9), two equivalent Zn(5), and two equivalent Zn(8) atoms to form distorted ZnNd3Zn9 cuboctahedra that share  a cornercorner with one Zn(8)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(3)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(11)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(7)Nd2Zn10 cuboctahedra, corners with four equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(11)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(7)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(9)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(2)Nd3Zn9 cuboctahedra,  a faceface with one Zn(3)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(12)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(8)Nd2Zn10 cuboctahedra, and faces with three equivalent Zn(4)Nd3Zn9 cuboctahedra. In the seventh Zn site, Zn(10) is bonded to one Nd(1), one Nd(2), one Zn(1), one Zn(11), one Zn(12), one Zn(2), one Zn(3), one Zn(4), one Zn(5), one Zn(7), one Zn(8), and one Zn(9) atom to form distorted ZnNd2Zn10 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(2)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with four equivalent Zn(8)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(1)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(2)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(3)Nd3Zn9 cuboctahedra, and faces with three equivalent Zn(4)Nd3Zn9 cuboctahedra. In the eighth Zn site, Zn(4) is bonded to one Nd(2), two equivalent Nd(1), one Zn(1), one Zn(10), one Zn(12), one Zn(3), one Zn(5), one Zn(6), one Zn(7), one Zn(8), and one Zn(9) atom to form distorted ZnNd3Zn9 cuboctahedra that share  a cornercorner with one Zn(11)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(12)Nd2Zn10 cuboctahedra,  a cornercorner with one Zn(8)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(3)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with three equivalent Zn(7)Nd2Zn10 cuboctahedra, corners with three equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(11)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(8)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(9)Nd2Zn10 cuboctahedra,  an edgeedge with one Zn(2)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(3)Nd3Zn9 cuboctahedra,  an edgeedge with one Zn(4)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(1)Nd3Zn9 cuboctahedra,  a faceface with one Zn(11)Nd2Zn10 cuboctahedra,  a faceface with one Zn(12)Nd2Zn10 cuboctahedra,  a faceface with one Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(2)Nd3Zn9 cuboctahedra, faces with three equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with three equivalent Zn(8)Nd2Zn10 cuboctahedra, and faces with three equivalent Zn(3)Nd3Zn9 cuboctahedra. In the ninth Zn site, Zn(11) is bonded to two equivalent Nd(2), two equivalent Zn(1), two equivalent Zn(10), two equivalent Zn(2), two equivalent Zn(7), and two equivalent Zn(9) atoms to form ZnNd2Zn10 cuboctahedra that share corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(11)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(8)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(3)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(7)Nd2Zn10 cuboctahedra, edges with two equivalent Zn(8)Nd2Zn10 cuboctahedra, edges with two equivalent Zn(3)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(4)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(12)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, and faces with four equivalent Zn(2)Nd3Zn9 cuboctahedra. In the tenth Zn site, Zn(12) is bonded to two equivalent Nd(2), two equivalent Zn(10), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(8), and two equivalent Zn(9) atoms to form ZnNd2Zn10 cuboctahedra that share corners with two equivalent Zn(10)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(11)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(12)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(7)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(9)Nd2Zn10 cuboctahedra, corners with two equivalent Zn(1)Nd3Zn9 cuboctahedra, corners with two equivalent Zn(4)Nd3Zn9 cuboctahedra, corners with four equivalent Zn(2)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(7)Nd2Zn10 cuboctahedra, edges with two equivalent Zn(8)Nd2Zn10 cuboctahedra, edges with two equivalent Zn(1)Nd3Zn9 cuboctahedra, edges with two equivalent Zn(2)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(10)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(11)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(7)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(8)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(9)Nd2Zn10 cuboctahedra, faces with two equivalent Zn(1)Nd3Zn9 cuboctahedra, faces with two equivalent Zn(4)Nd3Zn9 cuboctahedra, and faces with four equivalent Zn(3)Nd3Zn9 cuboctahedra. In the eleventh Zn site, Zn(5) is bonded in a 12-coordinate geometry to three equivalent Nd(1), one Zn(1), one Zn(10), one Zn(4), one Zn(5), one Zn(6), one Zn(7), one Zn(8), and two equivalent Zn(3) atoms. In the twelfth Zn site, Zn(6) is bonded in a 12-coordinate geometry to three equivalent Nd(1), one Zn(1), one Zn(4), one Zn(5), one Zn(6), one Zn(7), one Zn(8), one Zn(9), and two equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_Nd3Zn22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.786
_cell_length_b   8.786
_cell_length_c   12.217
_cell_angle_alpha   111.064
_cell_angle_beta   111.066
_cell_angle_gamma   89.961
_symmetry_Int_Tables_number   1
_cell_volume   812.221
_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
  Nd  Nd0  1  0.496  0.746  0.993  1.0
  Nd  Nd1  1  0.746  0.496  0.493  1.0
  Nd  Nd2  1  0.504  0.254  0.007  1.0
  Nd  Nd3  1  0.254  0.504  0.507  1.0
  Nd  Nd4  1  0.125  0.875  0.250  1.0
  Nd  Nd5  1  0.875  0.125  0.750  1.0
  Zn  Zn6  1  0.421  0.196  0.378  1.0
  Zn  Zn7  1  0.421  0.682  0.377  1.0
  Zn  Zn8  1  0.196  0.421  0.878  1.0
  Zn  Zn9  1  0.196  0.956  0.877  1.0
  Zn  Zn10  1  0.956  0.196  0.377  1.0
  Zn  Zn11  1  0.956  0.683  0.377  1.0
  Zn  Zn12  1  0.682  0.421  0.877  1.0
  Zn  Zn13  1  0.683  0.956  0.877  1.0
  Zn  Zn14  1  0.579  0.804  0.622  1.0
  Zn  Zn15  1  0.579  0.318  0.623  1.0
  Zn  Zn16  1  0.804  0.579  0.122  1.0
  Zn  Zn17  1  0.804  0.044  0.123  1.0
  Zn  Zn18  1  0.044  0.804  0.623  1.0
  Zn  Zn19  1  0.044  0.317  0.623  1.0
  Zn  Zn20  1  0.318  0.579  0.123  1.0
  Zn  Zn21  1  0.317  0.044  0.123  1.0
  Zn  Zn22  1  0.148  0.622  0.746  1.0
  Zn  Zn23  1  0.622  0.148  0.246  1.0
  Zn  Zn24  1  0.623  0.598  0.246  1.0
  Zn  Zn25  1  0.598  0.623  0.746  1.0
  Zn  Zn26  1  0.852  0.378  0.254  1.0
  Zn  Zn27  1  0.378  0.852  0.754  1.0
  Zn  Zn28  1  0.377  0.402  0.754  1.0
  Zn  Zn29  1  0.402  0.377  0.254  1.0
  Zn  Zn30  1  0.486  0.884  0.267  1.0
  Zn  Zn31  1  0.884  0.486  0.767  1.0
  Zn  Zn32  1  0.884  0.779  0.767  1.0
  Zn  Zn33  1  0.779  0.884  0.267  1.0
  Zn  Zn34  1  0.514  0.116  0.733  1.0
  Zn  Zn35  1  0.116  0.514  0.233  1.0
  Zn  Zn36  1  0.116  0.221  0.233  1.0
  Zn  Zn37  1  0.221  0.116  0.733  1.0
  Zn  Zn38  1  0.835  0.736  0.972  1.0
  Zn  Zn39  1  0.736  0.835  0.472  1.0
  Zn  Zn40  1  0.736  0.137  0.473  1.0
  Zn  Zn41  1  0.137  0.736  0.973  1.0
  Zn  Zn42  1  0.165  0.264  0.028  1.0
  Zn  Zn43  1  0.264  0.165  0.528  1.0
  Zn  Zn44  1  0.264  0.863  0.527  1.0
  Zn  Zn45  1  0.863  0.264  0.027  1.0
  Zn  Zn46  1  0.500  0.000  0.500  1.0
  Zn  Zn47  1  0.000  0.500  0.000  1.0
  Zn  Zn48  1  0.000  0.000  0.000  1.0
  Zn  Zn49  1  1.000  1.000  0.500  1.0
[/CIF]
.