The material structure described by Mg6HfSb crystallizes in the orthorhombic Amm2 space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with ten Mg(1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with six equivalent Hf(1)Mg10Sb2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with ten Mg(3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(1,1)Hf2Mg8Sb2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with ten Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(1,1)Hf2Mg8Sb2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3,3); and two equivalent Hf(1) atoms to form MgHf2Mg10 cuboctahedra that share corners with four equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with six equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with four Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with four Mg(1,1)Hf2Mg8Sb2 cuboctahedra; faces with four Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; and faces with six equivalent Sb(1)Hf2Mg10 cuboctahedra. In the sixth Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(1,1)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(3,3)Hf2Mg8Sb2 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(1,1)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra. In the eighth Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with ten Mg(3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra. Hf(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(3,3,3); and two equivalent Sb(1) atoms to form distorted HfMg10Sb2 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with six equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; faces with four Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four Mg(3,3); and two equivalent Hf(1) atoms to form SbHf2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with six equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with four Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with six equivalent Mg(4)Hf2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   6.322
_cell_length_c   6.322
_cell_angle_alpha   118.389
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.361
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.500  0.331  0.669  1.0
  Mg  Mg1  1  0.000  0.669  0.834  1.0
  Mg  Mg2  1  0.000  0.166  0.331  1.0
  Mg  Mg3  1  0.000  0.666  0.334  1.0
  Mg  Mg4  1  0.500  0.825  0.664  1.0
  Mg  Mg5  1  0.500  0.336  0.175  1.0
  Mg  Mg6  1  0.500  0.835  0.165  1.0
  Sb  Sb7  1  0.000  0.172  0.828  1.0
[/CIF]
.
The material structure described by Mg6HfSb crystallizes in the orthorhombic Amm2 space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with ten Mg(1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with six equivalent Hf(1)Mg10Sb2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with ten Mg(3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(1,1)Hf2Mg8Sb2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with ten Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(1,1)Hf2Mg8Sb2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3,3); and two equivalent Hf(1) atoms to form MgHf2Mg10 cuboctahedra that share corners with four equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with six equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with four Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with four Mg(1,1)Hf2Mg8Sb2 cuboctahedra; faces with four Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; and faces with six equivalent Sb(1)Hf2Mg10 cuboctahedra. In the sixth Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(1,1)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(3,3)Hf2Mg8Sb2 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(1,1)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra. In the eighth Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Hf(1), and two equivalent Sb(1) atoms to form distorted MgHf2Mg8Sb2 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with ten Mg(3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra. Hf(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(3,3,3); and two equivalent Sb(1) atoms to form distorted HfMg10Sb2 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with six equivalent Hf(1)Mg10Sb2 cuboctahedra; corners with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Sb(1)Hf2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four equivalent Mg(1)Hf2Mg8Sb2 cuboctahedra; faces with four Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four Mg(3,3); and two equivalent Hf(1) atoms to form SbHf2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sb2 cuboctahedra; corners with six equivalent Sb(1)Hf2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg10Sb2 cuboctahedra; edges with four Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; edges with four equivalent Hf(1)Mg10Sb2 cuboctahedra; edges with eight Mg(3,3,3)Hf2Mg8Sb2 cuboctahedra; faces with two equivalent Mg(2)Mg10Sb2 cuboctahedra; faces with two equivalent Hf(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Hf2Mg10 cuboctahedra; faces with four Mg(1,1,1)Hf2Mg8Sb2 cuboctahedra; faces with four Mg(3,3)Hf2Mg8Sb2 cuboctahedra; and faces with six equivalent Mg(4)Hf2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   6.322
_cell_length_c   6.322
_cell_angle_alpha   118.389
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.361
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.500  0.331  0.669  1.0
  Mg  Mg1  1  0.000  0.669  0.834  1.0
  Mg  Mg2  1  0.000  0.166  0.331  1.0
  Mg  Mg3  1  0.000  0.666  0.334  1.0
  Mg  Mg4  1  0.500  0.825  0.664  1.0
  Mg  Mg5  1  0.500  0.336  0.175  1.0
  Mg  Mg6  1  0.500  0.835  0.165  1.0
  Sb  Sb7  1  0.000  0.172  0.828  1.0
[/CIF]
.