The material described by Mg6ZrSn crystallizes in the orthorhombic Amm2 space group. There are seven 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with four equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with ten Mg(1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra. In the second 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with four equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with six equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with four Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with six equivalent Sn(1)Mg10Zr2 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sn2 cuboctahedra; corners with four equivalent Sn(1)Mg10Zr2 cuboctahedra; corners with ten Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with two equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra. In the fifth 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sn2 cuboctahedra; corners with four equivalent Sn(1)Mg10Zr2 cuboctahedra; corners with ten Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with two equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(1,1)Mg8Zr2Sn2 cuboctahedra. In the sixth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3); and two equivalent Sn(1) atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Mg10Zr2 cuboctahedra; corners with six equivalent Mg(4)Mg10Sn2 cuboctahedra; corners with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with six equivalent Zr(1)Mg10Sn2 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with four equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with ten Mg(1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra. Zr(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four equivalent Mg(3); and two equivalent Sn(1) atoms to form distorted ZrMg10Sn2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with six equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Zr2 cuboctahedra; edges with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; faces with four equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Sn2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3); and two equivalent Zr(1) atoms to form SnMg10Zr2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sn2 cuboctahedra; corners with six equivalent Sn(1)Mg10Zr2 cuboctahedra; corners with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Zr2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   6.443
_cell_length_c   6.443
_cell_angle_alpha   118.992
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.082
_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
  Mg  Mg0  1  1.000  0.673  0.836  1.0
  Mg  Mg1  1  0.000  0.164  0.327  1.0
  Mg  Mg2  1  0.000  0.665  0.335  1.0
  Mg  Mg3  1  0.500  0.831  0.665  1.0
  Mg  Mg4  1  0.500  0.335  0.169  1.0
  Mg  Mg5  1  0.500  0.833  0.167  1.0
  Sn  Sn6  1  0.500  0.329  0.671  1.0
  Zr  Zr7  1  0.000  0.169  0.831  1.0
[/CIF]
.
The material described by Mg6ZrSn crystallizes in the orthorhombic Amm2 space group. There are seven 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with four equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with ten Mg(1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra. In the second 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with four equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with six equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with four Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with six equivalent Sn(1)Mg10Zr2 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sn2 cuboctahedra; corners with four equivalent Sn(1)Mg10Zr2 cuboctahedra; corners with ten Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with two equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra. In the fifth 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sn2 cuboctahedra; corners with four equivalent Sn(1)Mg10Zr2 cuboctahedra; corners with ten Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with two equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(1,1)Mg8Zr2Sn2 cuboctahedra. In the sixth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3); and two equivalent Sn(1) atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Mg10Zr2 cuboctahedra; corners with six equivalent Mg(4)Mg10Sn2 cuboctahedra; corners with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Sn(1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with six equivalent Zr(1)Mg10Sn2 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 Zr(1), and two equivalent Sn(1) atoms to form distorted MgMg8Zr2Sn2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with four equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with ten Mg(1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; and faces with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra. Zr(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four equivalent Mg(3); and two equivalent Sn(1) atoms to form distorted ZrMg10Sn2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zr2 cuboctahedra; corners with six equivalent Zr(1)Mg10Sn2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Sn(1)Mg10Zr2 cuboctahedra; edges with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra; faces with two equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; faces with four equivalent Mg(3)Mg8Zr2Sn2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Sn2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3); and two equivalent Zr(1) atoms to form SnMg10Zr2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sn2 cuboctahedra; corners with six equivalent Sn(1)Mg10Zr2 cuboctahedra; corners with eight Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sn2 cuboctahedra; edges with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; edges with four equivalent Zr(1)Mg10Sn2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Zr2Sn2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sn2 cuboctahedra; faces with two equivalent Zr(1)Mg10Sn2 cuboctahedra; faces with two equivalent Sn(1)Mg10Zr2 cuboctahedra; faces with four Mg(1,1)Mg8Zr2Sn2 cuboctahedra; faces with four Mg(3,3)Mg8Zr2Sn2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Zr2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   6.443
_cell_length_c   6.443
_cell_angle_alpha   118.992
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.082
_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
  Mg  Mg0  1  1.000  0.673  0.836  1.0
  Mg  Mg1  1  0.000  0.164  0.327  1.0
  Mg  Mg2  1  0.000  0.665  0.335  1.0
  Mg  Mg3  1  0.500  0.831  0.665  1.0
  Mg  Mg4  1  0.500  0.335  0.169  1.0
  Mg  Mg5  1  0.500  0.833  0.167  1.0
  Sn  Sn6  1  0.500  0.329  0.671  1.0
  Zr  Zr7  1  0.000  0.169  0.831  1.0
[/CIF]
.