The material structure described by Mn8Sn5 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Mn(6), four equivalent Mn(2), one Sn(5), two equivalent Sn(2), and two equivalent Sn(4) atoms to form distorted MnMn6Sn5 trigonal bipyramids that share corners with two equivalent Mn(4)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(6)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, corners with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids, corners with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(6)Mn6Sn6 cuboctahedra,  a faceface with one Mn(5)Mn6Sn5 trigonal bipyramid, faces with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, and faces with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to one Mn(3), two equivalent Mn(1), two equivalent Mn(2), one Sn(3), one Sn(5), two equivalent Sn(2), and two equivalent Sn(4) atoms. In the third Mn site, Mn(3) is bonded to two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(6), one Sn(1), one Sn(2), one Sn(3), and two equivalent Sn(5) atoms to form distorted MnMn6Sn5 trigonal bipyramids that share corners with four equivalent Mn(6)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, corners with four equivalent Mn(3)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(4)Mn6Sn6 cuboctahedra, edges with two equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(4)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, and faces with four equivalent Mn(5)Mn6Sn5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to two equivalent Mn(3), two equivalent Mn(4), two equivalent Mn(5), two equivalent Sn(1), two equivalent Sn(3), and two equivalent Sn(5) atoms to form distorted MnMn6Sn6 cuboctahedra that share corners with two equivalent Mn(4)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(6)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, corners with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, edges with six equivalent Mn(6)Mn6Sn6 cuboctahedra, edges with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, faces with two equivalent Mn(4)Mn6Sn6 cuboctahedra, faces with four equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids, and faces with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids. In the fifth Mn site, Mn(5) is bonded to two equivalent Mn(4), four equivalent Mn(6), one Sn(3), one Sn(5), and three equivalent Sn(1) atoms to form distorted MnMn6Sn5 trigonal bipyramids that share corners with two equivalent Mn(4)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, corners with four equivalent Mn(5)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(4)Mn6Sn6 cuboctahedra, edges with four equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(4)Mn6Sn6 cuboctahedra, faces with four equivalent Mn(6)Mn6Sn6 cuboctahedra,  a faceface with one Mn(1)Mn6Sn5 trigonal bipyramid, faces with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, and faces with four equivalent Mn(3)Mn6Sn5 trigonal bipyramids. In the sixth Mn site, Mn(6) is bonded to one Mn(1), one Mn(3), two equivalent Mn(5), two equivalent Mn(6), one Sn(2), one Sn(3), one Sn(4), one Sn(5), and two equivalent Sn(1) atoms to form distorted MnMn6Sn6 cuboctahedra that share  a cornercorner with one Mn(4)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(6)Mn6Sn6 cuboctahedra,  a cornercorner with one Mn(1)Mn6Sn5 trigonal bipyramid, corners with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(6)Mn6Sn6 cuboctahedra, edges with three equivalent Mn(4)Mn6Sn6 cuboctahedra,  an edgeedge with one Mn(1)Mn6Sn5 trigonal bipyramid,  an edgeedge with one Mn(3)Mn6Sn5 trigonal bipyramid, edges with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, faces with two equivalent Mn(4)Mn6Sn6 cuboctahedra, faces with three equivalent Mn(6)Mn6Sn6 cuboctahedra,  a faceface with one Mn(1)Mn6Sn5 trigonal bipyramid,  a faceface with one Mn(3)Mn6Sn5 trigonal bipyramid, and faces with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Mn(3), two equivalent Mn(4), three equivalent Mn(5), and four equivalent Mn(6) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Mn(3), two equivalent Mn(1), two equivalent Mn(6), and four equivalent Mn(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(5), two equivalent Mn(2), two equivalent Mn(4), and two equivalent Mn(6) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(6), and four equivalent Mn(2) atoms. In the fifth Sn site, Sn(5) is bonded in a 10-coordinate geometry to one Mn(1), one Mn(5), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), and two equivalent Mn(6) atoms. is represented by the CIF card [CIF]
data_Mn8Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.456
_cell_length_b   7.510
_cell_length_c   21.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   882.342
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.250  0.839  0.699  1.0
  Mn  Mn1  1  0.750  0.161  0.301  1.0
  Mn  Mn2  1  0.750  0.661  0.199  1.0
  Mn  Mn3  1  0.250  0.339  0.801  1.0
  Mn  Mn4  1  0.006  0.512  0.704  1.0
  Mn  Mn5  1  0.994  0.488  0.296  1.0
  Mn  Mn6  1  0.994  0.988  0.204  1.0
  Mn  Mn7  1  0.506  0.488  0.296  1.0
  Mn  Mn8  1  0.006  0.012  0.796  1.0
  Mn  Mn9  1  0.494  0.512  0.704  1.0
  Mn  Mn10  1  0.494  0.012  0.796  1.0
  Mn  Mn11  1  0.506  0.988  0.204  1.0
  Mn  Mn12  1  0.250  0.840  0.103  1.0
  Mn  Mn13  1  0.750  0.160  0.897  1.0
  Mn  Mn14  1  0.750  0.660  0.603  1.0
  Mn  Mn15  1  0.250  0.340  0.397  1.0
  Mn  Mn16  1  0.000  0.500  0.500  1.0
  Mn  Mn17  1  0.000  0.000  0.000  1.0
  Mn  Mn18  1  0.500  0.500  0.500  1.0
  Mn  Mn19  1  0.500  0.000  0.000  1.0
  Mn  Mn20  1  0.250  0.335  0.003  1.0
  Mn  Mn21  1  0.750  0.665  0.997  1.0
  Mn  Mn22  1  0.750  0.165  0.503  1.0
  Mn  Mn23  1  0.250  0.835  0.497  1.0
  Mn  Mn24  1  1.000  0.979  0.598  1.0
  Mn  Mn25  1  0.000  0.021  0.402  1.0
  Mn  Mn26  1  0.000  0.521  0.098  1.0
  Mn  Mn27  1  0.500  0.021  0.402  1.0
  Mn  Mn28  1  1.000  0.479  0.902  1.0
  Mn  Mn29  1  0.500  0.979  0.598  1.0
  Mn  Mn30  1  0.500  0.479  0.902  1.0
  Mn  Mn31  1  0.500  0.521  0.098  1.0
  Sn  Sn32  1  0.250  0.686  0.990  1.0
  Sn  Sn33  1  0.750  0.314  0.010  1.0
  Sn  Sn34  1  0.750  0.814  0.490  1.0
  Sn  Sn35  1  0.250  0.186  0.510  1.0
  Sn  Sn36  1  0.250  0.654  0.207  1.0
  Sn  Sn37  1  0.750  0.346  0.793  1.0
  Sn  Sn38  1  0.750  0.846  0.707  1.0
  Sn  Sn39  1  0.250  0.154  0.293  1.0
  Sn  Sn40  1  0.250  0.690  0.386  1.0
  Sn  Sn41  1  0.750  0.310  0.614  1.0
  Sn  Sn42  1  0.750  0.810  0.886  1.0
  Sn  Sn43  1  0.250  0.190  0.114  1.0
  Sn  Sn44  1  0.250  0.687  0.811  1.0
  Sn  Sn45  1  0.750  0.313  0.189  1.0
  Sn  Sn46  1  0.750  0.813  0.311  1.0
  Sn  Sn47  1  0.250  0.187  0.689  1.0
  Sn  Sn48  1  0.250  0.631  0.599  1.0
  Sn  Sn49  1  0.750  0.369  0.401  1.0
  Sn  Sn50  1  0.750  0.869  0.099  1.0
  Sn  Sn51  1  0.250  0.131  0.901  1.0
[/CIF]
.
The material structure described by Mn8Sn5 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Mn(6), four equivalent Mn(2), one Sn(5), two equivalent Sn(2), and two equivalent Sn(4) atoms to form distorted MnMn6Sn5 trigonal bipyramids that share corners with two equivalent Mn(4)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(6)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, corners with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids, corners with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(6)Mn6Sn6 cuboctahedra,  a faceface with one Mn(5)Mn6Sn5 trigonal bipyramid, faces with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, and faces with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to one Mn(3), two equivalent Mn(1), two equivalent Mn(2), one Sn(3), one Sn(5), two equivalent Sn(2), and two equivalent Sn(4) atoms. In the third Mn site, Mn(3) is bonded to two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(6), one Sn(1), one Sn(2), one Sn(3), and two equivalent Sn(5) atoms to form distorted MnMn6Sn5 trigonal bipyramids that share corners with four equivalent Mn(6)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, corners with four equivalent Mn(3)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(4)Mn6Sn6 cuboctahedra, edges with two equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(4)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, and faces with four equivalent Mn(5)Mn6Sn5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to two equivalent Mn(3), two equivalent Mn(4), two equivalent Mn(5), two equivalent Sn(1), two equivalent Sn(3), and two equivalent Sn(5) atoms to form distorted MnMn6Sn6 cuboctahedra that share corners with two equivalent Mn(4)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(6)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, corners with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, edges with six equivalent Mn(6)Mn6Sn6 cuboctahedra, edges with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, faces with two equivalent Mn(4)Mn6Sn6 cuboctahedra, faces with four equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids, and faces with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids. In the fifth Mn site, Mn(5) is bonded to two equivalent Mn(4), four equivalent Mn(6), one Sn(3), one Sn(5), and three equivalent Sn(1) atoms to form distorted MnMn6Sn5 trigonal bipyramids that share corners with two equivalent Mn(4)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(1)Mn6Sn5 trigonal bipyramids, corners with four equivalent Mn(5)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(4)Mn6Sn6 cuboctahedra, edges with four equivalent Mn(6)Mn6Sn6 cuboctahedra, faces with two equivalent Mn(4)Mn6Sn6 cuboctahedra, faces with four equivalent Mn(6)Mn6Sn6 cuboctahedra,  a faceface with one Mn(1)Mn6Sn5 trigonal bipyramid, faces with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, and faces with four equivalent Mn(3)Mn6Sn5 trigonal bipyramids. In the sixth Mn site, Mn(6) is bonded to one Mn(1), one Mn(3), two equivalent Mn(5), two equivalent Mn(6), one Sn(2), one Sn(3), one Sn(4), one Sn(5), and two equivalent Sn(1) atoms to form distorted MnMn6Sn6 cuboctahedra that share  a cornercorner with one Mn(4)Mn6Sn6 cuboctahedra, corners with two equivalent Mn(6)Mn6Sn6 cuboctahedra,  a cornercorner with one Mn(1)Mn6Sn5 trigonal bipyramid, corners with two equivalent Mn(3)Mn6Sn5 trigonal bipyramids, edges with two equivalent Mn(6)Mn6Sn6 cuboctahedra, edges with three equivalent Mn(4)Mn6Sn6 cuboctahedra,  an edgeedge with one Mn(1)Mn6Sn5 trigonal bipyramid,  an edgeedge with one Mn(3)Mn6Sn5 trigonal bipyramid, edges with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids, faces with two equivalent Mn(4)Mn6Sn6 cuboctahedra, faces with three equivalent Mn(6)Mn6Sn6 cuboctahedra,  a faceface with one Mn(1)Mn6Sn5 trigonal bipyramid,  a faceface with one Mn(3)Mn6Sn5 trigonal bipyramid, and faces with two equivalent Mn(5)Mn6Sn5 trigonal bipyramids. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Mn(3), two equivalent Mn(4), three equivalent Mn(5), and four equivalent Mn(6) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Mn(3), two equivalent Mn(1), two equivalent Mn(6), and four equivalent Mn(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(5), two equivalent Mn(2), two equivalent Mn(4), and two equivalent Mn(6) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(6), and four equivalent Mn(2) atoms. In the fifth Sn site, Sn(5) is bonded in a 10-coordinate geometry to one Mn(1), one Mn(5), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), and two equivalent Mn(6) atoms. is represented by the CIF card [CIF]
data_Mn8Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.456
_cell_length_b   7.510
_cell_length_c   21.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   882.342
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.250  0.839  0.699  1.0
  Mn  Mn1  1  0.750  0.161  0.301  1.0
  Mn  Mn2  1  0.750  0.661  0.199  1.0
  Mn  Mn3  1  0.250  0.339  0.801  1.0
  Mn  Mn4  1  0.006  0.512  0.704  1.0
  Mn  Mn5  1  0.994  0.488  0.296  1.0
  Mn  Mn6  1  0.994  0.988  0.204  1.0
  Mn  Mn7  1  0.506  0.488  0.296  1.0
  Mn  Mn8  1  0.006  0.012  0.796  1.0
  Mn  Mn9  1  0.494  0.512  0.704  1.0
  Mn  Mn10  1  0.494  0.012  0.796  1.0
  Mn  Mn11  1  0.506  0.988  0.204  1.0
  Mn  Mn12  1  0.250  0.840  0.103  1.0
  Mn  Mn13  1  0.750  0.160  0.897  1.0
  Mn  Mn14  1  0.750  0.660  0.603  1.0
  Mn  Mn15  1  0.250  0.340  0.397  1.0
  Mn  Mn16  1  0.000  0.500  0.500  1.0
  Mn  Mn17  1  0.000  0.000  0.000  1.0
  Mn  Mn18  1  0.500  0.500  0.500  1.0
  Mn  Mn19  1  0.500  0.000  0.000  1.0
  Mn  Mn20  1  0.250  0.335  0.003  1.0
  Mn  Mn21  1  0.750  0.665  0.997  1.0
  Mn  Mn22  1  0.750  0.165  0.503  1.0
  Mn  Mn23  1  0.250  0.835  0.497  1.0
  Mn  Mn24  1  1.000  0.979  0.598  1.0
  Mn  Mn25  1  0.000  0.021  0.402  1.0
  Mn  Mn26  1  0.000  0.521  0.098  1.0
  Mn  Mn27  1  0.500  0.021  0.402  1.0
  Mn  Mn28  1  1.000  0.479  0.902  1.0
  Mn  Mn29  1  0.500  0.979  0.598  1.0
  Mn  Mn30  1  0.500  0.479  0.902  1.0
  Mn  Mn31  1  0.500  0.521  0.098  1.0
  Sn  Sn32  1  0.250  0.686  0.990  1.0
  Sn  Sn33  1  0.750  0.314  0.010  1.0
  Sn  Sn34  1  0.750  0.814  0.490  1.0
  Sn  Sn35  1  0.250  0.186  0.510  1.0
  Sn  Sn36  1  0.250  0.654  0.207  1.0
  Sn  Sn37  1  0.750  0.346  0.793  1.0
  Sn  Sn38  1  0.750  0.846  0.707  1.0
  Sn  Sn39  1  0.250  0.154  0.293  1.0
  Sn  Sn40  1  0.250  0.690  0.386  1.0
  Sn  Sn41  1  0.750  0.310  0.614  1.0
  Sn  Sn42  1  0.750  0.810  0.886  1.0
  Sn  Sn43  1  0.250  0.190  0.114  1.0
  Sn  Sn44  1  0.250  0.687  0.811  1.0
  Sn  Sn45  1  0.750  0.313  0.189  1.0
  Sn  Sn46  1  0.750  0.813  0.311  1.0
  Sn  Sn47  1  0.250  0.187  0.689  1.0
  Sn  Sn48  1  0.250  0.631  0.599  1.0
  Sn  Sn49  1  0.750  0.369  0.401  1.0
  Sn  Sn50  1  0.750  0.869  0.099  1.0
  Sn  Sn51  1  0.250  0.131  0.901  1.0
[/CIF]
.