The structure described by SmYFe6 crystallizes in the trigonal R3m space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to three equivalent Fe(3), three equivalent Fe(9), and six equivalent Fe(1) atoms. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to one Y(2), three equivalent Fe(10), three equivalent Fe(4), and six equivalent Fe(2) atoms. In the third Sm site, Sm(3) is bonded in a 12-coordinate geometry to one Y(2), three equivalent Fe(1), three equivalent Fe(9), and six equivalent Fe(3) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to three equivalent Fe(10), three equivalent Fe(2), and six equivalent Fe(4) atoms. In the second Y site, Y(2) is bonded in a 20-coordinate geometry to one Sm(2), one Sm(3), three equivalent Fe(5), three equivalent Fe(8), six equivalent Fe(2), and six equivalent Fe(3) atoms. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to three equivalent Fe(6), three equivalent Fe(7), six equivalent Fe(1), and six equivalent Fe(4) atoms. There are ten inequivalent Fe sites. In the first Fe site, Fe(7) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Fe(1), and three equivalent Fe(4) atoms. In the second Fe site, Fe(8) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Fe(2), and three equivalent Fe(3) atoms. In the third Fe site, Fe(9) is bonded to three equivalent Sm(1), three equivalent Sm(3), three equivalent Fe(1), and three equivalent Fe(3) atoms to form FeSm6Fe6 cuboctahedra that share corners with six equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, corners with six equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, edges with six equivalent Fe(9)Sm6Fe6 cuboctahedra, faces with nine equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, and faces with nine equivalent Fe(3)Sm3Y2Fe7 cuboctahedra. In the fourth Fe site, Fe(10) is bonded to three equivalent Sm(2), three equivalent Y(1), three equivalent Fe(2), and three equivalent Fe(4) atoms to form FeSm3Y3Fe6 cuboctahedra that share corners with six equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, corners with six equivalent Fe(4)SmY4Fe7 cuboctahedra, edges with six equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, faces with nine equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, and faces with nine equivalent Fe(4)SmY4Fe7 cuboctahedra. In the fifth Fe site, Fe(1) is bonded to one Sm(3), two equivalent Sm(1), two equivalent Y(3), one Fe(6), one Fe(7), one Fe(9), and four equivalent Fe(1) atoms to form FeSm3Y2Fe7 cuboctahedra that share corners with two equivalent Fe(9)Sm6Fe6 cuboctahedra, corners with four equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, corners with five equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, corners with six equivalent Fe(4)SmY4Fe7 cuboctahedra, edges with two equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, edges with two equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, edges with four equivalent Fe(4)SmY4Fe7 cuboctahedra,  a faceface with one Fe(4)SmY4Fe7 cuboctahedra, faces with two equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, faces with three equivalent Fe(9)Sm6Fe6 cuboctahedra, and faces with eight equivalent Fe(1)Sm3Y2Fe7 cuboctahedra. In the sixth Fe site, Fe(2) is bonded to two equivalent Sm(2), one Y(1), two equivalent Y(2), one Fe(10), one Fe(5), one Fe(8), and four equivalent Fe(2) atoms to form FeSm2Y3Fe7 cuboctahedra that share corners with two equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, corners with four equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, corners with five equivalent Fe(4)SmY4Fe7 cuboctahedra, corners with six equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, edges with two equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, edges with two equivalent Fe(4)SmY4Fe7 cuboctahedra, edges with four equivalent Fe(3)Sm3Y2Fe7 cuboctahedra,  a faceface with one Fe(3)Sm3Y2Fe7 cuboctahedra, faces with two equivalent Fe(4)SmY4Fe7 cuboctahedra, faces with three equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, and faces with eight equivalent Fe(2)Sm2Y3Fe7 cuboctahedra. In the seventh Fe site, Fe(3) is bonded to one Sm(1), two equivalent Sm(3), two equivalent Y(2), one Fe(5), one Fe(8), one Fe(9), and four equivalent Fe(3) atoms to form FeSm3Y2Fe7 cuboctahedra that share corners with two equivalent Fe(9)Sm6Fe6 cuboctahedra, corners with four equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, corners with five equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, corners with six equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, edges with two equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, edges with two equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, edges with four equivalent Fe(2)Sm2Y3Fe7 cuboctahedra,  a faceface with one Fe(2)Sm2Y3Fe7 cuboctahedra, faces with two equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, faces with three equivalent Fe(9)Sm6Fe6 cuboctahedra, and faces with eight equivalent Fe(3)Sm3Y2Fe7 cuboctahedra. In the eighth Fe site, Fe(4) is bonded to one Sm(2), two equivalent Y(1), two equivalent Y(3), one Fe(10), one Fe(6), one Fe(7), and four equivalent Fe(4) atoms to form FeSmY4Fe7 cuboctahedra that share corners with two equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, corners with four equivalent Fe(4)SmY4Fe7 cuboctahedra, corners with five equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, corners with six equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, edges with two equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, edges with two equivalent Fe(4)SmY4Fe7 cuboctahedra, edges with four equivalent Fe(1)Sm3Y2Fe7 cuboctahedra,  a faceface with one Fe(1)Sm3Y2Fe7 cuboctahedra, faces with two equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, faces with three equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, and faces with eight equivalent Fe(4)SmY4Fe7 cuboctahedra. In the ninth Fe site, Fe(5) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Fe(2), and three equivalent Fe(3) atoms. In the tenth Fe site, Fe(6) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Fe(1), and three equivalent Fe(4) atoms. is represented by the CIF card [CIF]
data_SmYFe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   16.690
_cell_angle_alpha   81.117
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.840
_cell_formula_units_Z   3
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
  Sm  Sm0  1  0.571  0.142  0.287  1.0
  Sm  Sm1  1  0.071  0.142  0.787  1.0
  Sm  Sm2  1  0.929  0.858  0.213  1.0
  Y  Y3  1  0.429  0.858  0.713  1.0
  Y  Y4  1  0.000  0.000  1.000  1.0
  Y  Y5  1  0.500  1.000  0.501  1.0
  Fe  Fe6  1  0.041  0.579  0.380  1.0
  Fe  Fe7  1  0.541  0.580  0.879  1.0
  Fe  Fe8  1  0.538  0.579  0.380  1.0
  Fe  Fe9  1  0.039  0.580  0.879  1.0
  Fe  Fe10  1  0.041  0.081  0.380  1.0
  Fe  Fe11  1  0.541  0.082  0.879  1.0
  Fe  Fe12  1  0.459  0.421  0.120  1.0
  Fe  Fe13  1  0.960  0.419  0.621  1.0
  Fe  Fe14  1  0.962  0.421  0.120  1.0
  Fe  Fe15  1  0.460  0.419  0.621  1.0
  Fe  Fe16  1  0.459  0.919  0.120  1.0
  Fe  Fe17  1  0.960  0.919  0.621  1.0
  Fe  Fe18  1  0.666  0.333  0.001  1.0
  Fe  Fe19  1  0.166  0.332  0.502  1.0
  Fe  Fe20  1  0.834  0.667  0.499  1.0
  Fe  Fe21  1  0.334  0.668  0.998  1.0
  Fe  Fe22  1  0.250  0.500  0.250  1.0
  Fe  Fe23  1  0.750  0.500  0.750  1.0
[/CIF]
.
The structure described by SmYFe6 crystallizes in the trigonal R3m space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to three equivalent Fe(3), three equivalent Fe(9), and six equivalent Fe(1) atoms. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to one Y(2), three equivalent Fe(10), three equivalent Fe(4), and six equivalent Fe(2) atoms. In the third Sm site, Sm(3) is bonded in a 12-coordinate geometry to one Y(2), three equivalent Fe(1), three equivalent Fe(9), and six equivalent Fe(3) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to three equivalent Fe(10), three equivalent Fe(2), and six equivalent Fe(4) atoms. In the second Y site, Y(2) is bonded in a 20-coordinate geometry to one Sm(2), one Sm(3), three equivalent Fe(5), three equivalent Fe(8), six equivalent Fe(2), and six equivalent Fe(3) atoms. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to three equivalent Fe(6), three equivalent Fe(7), six equivalent Fe(1), and six equivalent Fe(4) atoms. There are ten inequivalent Fe sites. In the first Fe site, Fe(7) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Fe(1), and three equivalent Fe(4) atoms. In the second Fe site, Fe(8) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Fe(2), and three equivalent Fe(3) atoms. In the third Fe site, Fe(9) is bonded to three equivalent Sm(1), three equivalent Sm(3), three equivalent Fe(1), and three equivalent Fe(3) atoms to form FeSm6Fe6 cuboctahedra that share corners with six equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, corners with six equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, edges with six equivalent Fe(9)Sm6Fe6 cuboctahedra, faces with nine equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, and faces with nine equivalent Fe(3)Sm3Y2Fe7 cuboctahedra. In the fourth Fe site, Fe(10) is bonded to three equivalent Sm(2), three equivalent Y(1), three equivalent Fe(2), and three equivalent Fe(4) atoms to form FeSm3Y3Fe6 cuboctahedra that share corners with six equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, corners with six equivalent Fe(4)SmY4Fe7 cuboctahedra, edges with six equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, faces with nine equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, and faces with nine equivalent Fe(4)SmY4Fe7 cuboctahedra. In the fifth Fe site, Fe(1) is bonded to one Sm(3), two equivalent Sm(1), two equivalent Y(3), one Fe(6), one Fe(7), one Fe(9), and four equivalent Fe(1) atoms to form FeSm3Y2Fe7 cuboctahedra that share corners with two equivalent Fe(9)Sm6Fe6 cuboctahedra, corners with four equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, corners with five equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, corners with six equivalent Fe(4)SmY4Fe7 cuboctahedra, edges with two equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, edges with two equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, edges with four equivalent Fe(4)SmY4Fe7 cuboctahedra,  a faceface with one Fe(4)SmY4Fe7 cuboctahedra, faces with two equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, faces with three equivalent Fe(9)Sm6Fe6 cuboctahedra, and faces with eight equivalent Fe(1)Sm3Y2Fe7 cuboctahedra. In the sixth Fe site, Fe(2) is bonded to two equivalent Sm(2), one Y(1), two equivalent Y(2), one Fe(10), one Fe(5), one Fe(8), and four equivalent Fe(2) atoms to form FeSm2Y3Fe7 cuboctahedra that share corners with two equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, corners with four equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, corners with five equivalent Fe(4)SmY4Fe7 cuboctahedra, corners with six equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, edges with two equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, edges with two equivalent Fe(4)SmY4Fe7 cuboctahedra, edges with four equivalent Fe(3)Sm3Y2Fe7 cuboctahedra,  a faceface with one Fe(3)Sm3Y2Fe7 cuboctahedra, faces with two equivalent Fe(4)SmY4Fe7 cuboctahedra, faces with three equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, and faces with eight equivalent Fe(2)Sm2Y3Fe7 cuboctahedra. In the seventh Fe site, Fe(3) is bonded to one Sm(1), two equivalent Sm(3), two equivalent Y(2), one Fe(5), one Fe(8), one Fe(9), and four equivalent Fe(3) atoms to form FeSm3Y2Fe7 cuboctahedra that share corners with two equivalent Fe(9)Sm6Fe6 cuboctahedra, corners with four equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, corners with five equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, corners with six equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, edges with two equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, edges with two equivalent Fe(3)Sm3Y2Fe7 cuboctahedra, edges with four equivalent Fe(2)Sm2Y3Fe7 cuboctahedra,  a faceface with one Fe(2)Sm2Y3Fe7 cuboctahedra, faces with two equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, faces with three equivalent Fe(9)Sm6Fe6 cuboctahedra, and faces with eight equivalent Fe(3)Sm3Y2Fe7 cuboctahedra. In the eighth Fe site, Fe(4) is bonded to one Sm(2), two equivalent Y(1), two equivalent Y(3), one Fe(10), one Fe(6), one Fe(7), and four equivalent Fe(4) atoms to form FeSmY4Fe7 cuboctahedra that share corners with two equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, corners with four equivalent Fe(4)SmY4Fe7 cuboctahedra, corners with five equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, corners with six equivalent Fe(1)Sm3Y2Fe7 cuboctahedra, edges with two equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, edges with two equivalent Fe(4)SmY4Fe7 cuboctahedra, edges with four equivalent Fe(1)Sm3Y2Fe7 cuboctahedra,  a faceface with one Fe(1)Sm3Y2Fe7 cuboctahedra, faces with two equivalent Fe(2)Sm2Y3Fe7 cuboctahedra, faces with three equivalent Fe(10)Sm3Y3Fe6 cuboctahedra, and faces with eight equivalent Fe(4)SmY4Fe7 cuboctahedra. In the ninth Fe site, Fe(5) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Fe(2), and three equivalent Fe(3) atoms. In the tenth Fe site, Fe(6) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Fe(1), and three equivalent Fe(4) atoms. is represented by the CIF card [CIF]
data_SmYFe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   16.690
_cell_angle_alpha   81.117
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.840
_cell_formula_units_Z   3
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
  Sm  Sm0  1  0.571  0.142  0.287  1.0
  Sm  Sm1  1  0.071  0.142  0.787  1.0
  Sm  Sm2  1  0.929  0.858  0.213  1.0
  Y  Y3  1  0.429  0.858  0.713  1.0
  Y  Y4  1  0.000  0.000  1.000  1.0
  Y  Y5  1  0.500  1.000  0.501  1.0
  Fe  Fe6  1  0.041  0.579  0.380  1.0
  Fe  Fe7  1  0.541  0.580  0.879  1.0
  Fe  Fe8  1  0.538  0.579  0.380  1.0
  Fe  Fe9  1  0.039  0.580  0.879  1.0
  Fe  Fe10  1  0.041  0.081  0.380  1.0
  Fe  Fe11  1  0.541  0.082  0.879  1.0
  Fe  Fe12  1  0.459  0.421  0.120  1.0
  Fe  Fe13  1  0.960  0.419  0.621  1.0
  Fe  Fe14  1  0.962  0.421  0.120  1.0
  Fe  Fe15  1  0.460  0.419  0.621  1.0
  Fe  Fe16  1  0.459  0.919  0.120  1.0
  Fe  Fe17  1  0.960  0.919  0.621  1.0
  Fe  Fe18  1  0.666  0.333  0.001  1.0
  Fe  Fe19  1  0.166  0.332  0.502  1.0
  Fe  Fe20  1  0.834  0.667  0.499  1.0
  Fe  Fe21  1  0.334  0.668  0.998  1.0
  Fe  Fe22  1  0.250  0.500  0.250  1.0
  Fe  Fe23  1  0.750  0.500  0.750  1.0
[/CIF]
.