The material structure described by LiMg6Hf crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(3); four Mg(1,1,1); four Mg(2,2); and two equivalent Hf(1) atoms to form LiHf2Mg10 cuboctahedra that share corners with four equivalent Hf(1)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Hf2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Hf(1)Li2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Mg(3)Li2Mg10 cuboctahedra; edges with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with six equivalent Mg(4)Hf2Mg10 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Li(1)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Li(1)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Hf(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Mg(3)Li2Mg10 cuboctahedra; corners with ten Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(3)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Hf(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(1,1)Li2Hf2Mg8 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Mg(3)Li2Mg10 cuboctahedra; corners with ten Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(3)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Hf(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(1,1)Li2Hf2Mg8 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Li(1); two equivalent Mg(4); four equivalent Mg(1); and four Mg(2,2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with six equivalent Mg(3)Li2Mg10 cuboctahedra; corners with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Li(1)Hf2Mg10 cuboctahedra; edges with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with eight Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with four equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with six equivalent Hf(1)Li2Mg10 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Hf(1) atoms to form MgHf2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra; corners with six equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(3)Li2Mg10 cuboctahedra; edges with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Hf(1)Li2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Hf2Mg8 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with six equivalent Li(1)Hf2Mg10 cuboctahedra. In the sixth Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Li(1)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Li(1)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Hf(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Li(1)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Li(1)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Hf(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra. Hf(1) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(1,1,1); and four Mg(2,2) atoms to form HfLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Hf2Mg10 cuboctahedra; corners with six equivalent Hf(1)Li2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Li(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with six equivalent Mg(3)Li2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LiHfMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.035
_cell_length_b   6.355
_cell_length_c   6.355
_cell_angle_alpha   118.988
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.871
_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  0.665  0.335  1.0
  Li  Li1  1  0.500  0.164  0.836  1.0
  Mg  Mg2  1  0.500  0.163  0.326  1.0
  Mg  Mg3  1  0.500  0.674  0.837  1.0
  Mg  Mg4  1  0.000  0.336  0.165  1.0
  Mg  Mg5  1  0.000  0.835  0.664  1.0
  Mg  Mg6  1  0.000  0.332  0.668  1.0
  Mg  Mg7  1  0.000  0.831  0.169  1.0
[/CIF]
.
The material structure described by LiMg6Hf crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(3); four Mg(1,1,1); four Mg(2,2); and two equivalent Hf(1) atoms to form LiHf2Mg10 cuboctahedra that share corners with four equivalent Hf(1)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Hf2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Hf(1)Li2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Mg(3)Li2Mg10 cuboctahedra; edges with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with six equivalent Mg(4)Hf2Mg10 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Li(1)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Li(1)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Hf(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Mg(3)Li2Mg10 cuboctahedra; corners with ten Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(3)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Hf(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(1,1)Li2Hf2Mg8 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with four equivalent Mg(3)Li2Mg10 cuboctahedra; corners with ten Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(3)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Hf(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(1,1)Li2Hf2Mg8 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Li(1); two equivalent Mg(4); four equivalent Mg(1); and four Mg(2,2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with six equivalent Mg(3)Li2Mg10 cuboctahedra; corners with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Li(1)Hf2Mg10 cuboctahedra; edges with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with eight Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with four equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with six equivalent Hf(1)Li2Mg10 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Hf(1) atoms to form MgHf2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra; corners with six equivalent Mg(4)Hf2Mg10 cuboctahedra; corners with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Mg(3)Li2Mg10 cuboctahedra; edges with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Hf(1)Li2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Hf2Mg8 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with six equivalent Li(1)Hf2Mg10 cuboctahedra. In the sixth Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Li(1)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Li(1)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Hf(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms to form distorted MgLi2Hf2Mg8 cuboctahedra that share corners with four equivalent Li(1)Hf2Mg10 cuboctahedra; corners with four equivalent Hf(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Li(1)Hf2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Hf(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(2)Li2Hf2Mg8 cuboctahedra; edges with four equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(3)Li2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Hf2Mg8 cuboctahedra; and faces with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra. Hf(1) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(1,1,1); and four Mg(2,2) atoms to form HfLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Hf2Mg10 cuboctahedra; corners with six equivalent Hf(1)Li2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with two equivalent Li(1)Hf2Mg10 cuboctahedra; edges with four equivalent Mg(4)Hf2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; edges with eight Mg(2,2)Li2Hf2Mg8 cuboctahedra; faces with two equivalent Li(1)Hf2Mg10 cuboctahedra; faces with two equivalent Mg(4)Hf2Mg10 cuboctahedra; faces with two equivalent Hf(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Hf2Mg8 cuboctahedra; faces with four Mg(2,2)Li2Hf2Mg8 cuboctahedra; and faces with six equivalent Mg(3)Li2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LiHfMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.035
_cell_length_b   6.355
_cell_length_c   6.355
_cell_angle_alpha   118.988
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.871
_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  0.665  0.335  1.0
  Li  Li1  1  0.500  0.164  0.836  1.0
  Mg  Mg2  1  0.500  0.163  0.326  1.0
  Mg  Mg3  1  0.500  0.674  0.837  1.0
  Mg  Mg4  1  0.000  0.336  0.165  1.0
  Mg  Mg5  1  0.000  0.835  0.664  1.0
  Mg  Mg6  1  0.000  0.332  0.668  1.0
  Mg  Mg7  1  0.000  0.831  0.169  1.0
[/CIF]
.