The material described by Mg6CrSb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four 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 Cr(1), and two equivalent Sb(1) atoms to form distorted MgMg8Cr2Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with four equivalent Cr(1)Mg10Sb2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with two equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Cr(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, and faces with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cr(1) atoms to form MgMg10Cr2 cuboctahedra that share corners with four equivalent Cr(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Cr(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with six equivalent Sb(1)Mg10Cr2 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 Cr(1), and two equivalent Sb(1) atoms to form distorted MgMg8Cr2Sb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Mg10Cr2 cuboctahedra, corners with ten equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with two equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with four equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Mg10Cr2 cuboctahedra, corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with six equivalent Cr(1)Mg10Sb2 cuboctahedra. Cr(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form CrMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with six equivalent Cr(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10Cr2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cr(1) atoms to form SbMg10Cr2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with six equivalent Sb(1)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with four equivalent Cr(1)Mg10Sb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Cr2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.053
_cell_length_b   6.279
_cell_length_c   6.279
_cell_angle_alpha   119.157
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.990
_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
  Cr  Cr0  1  0.000  0.167  0.833  1.0
  Mg  Mg1  1  0.000  0.675  0.837  1.0
  Mg  Mg2  1  1.000  0.163  0.325  1.0
  Mg  Mg3  1  0.000  0.666  0.334  1.0
  Mg  Mg4  1  0.500  0.838  0.668  1.0
  Mg  Mg5  1  0.500  0.332  0.162  1.0
  Mg  Mg6  1  0.500  0.832  0.168  1.0
  Sb  Sb7  1  0.500  0.327  0.673  1.0
[/CIF]
.
The material described by Mg6CrSb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four 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 Cr(1), and two equivalent Sb(1) atoms to form distorted MgMg8Cr2Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with four equivalent Cr(1)Mg10Sb2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with two equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Cr(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, and faces with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cr(1) atoms to form MgMg10Cr2 cuboctahedra that share corners with four equivalent Cr(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Cr(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with six equivalent Sb(1)Mg10Cr2 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 Cr(1), and two equivalent Sb(1) atoms to form distorted MgMg8Cr2Sb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Mg10Cr2 cuboctahedra, corners with ten equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with two equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with four equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Mg10Cr2 cuboctahedra, corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with six equivalent Cr(1)Mg10Sb2 cuboctahedra. Cr(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form CrMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with six equivalent Cr(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10Cr2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cr(1) atoms to form SbMg10Cr2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with six equivalent Sb(1)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, edges with four equivalent Cr(1)Mg10Sb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Cr(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Sb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Cr2Sb2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Cr2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.053
_cell_length_b   6.279
_cell_length_c   6.279
_cell_angle_alpha   119.157
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.990
_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
  Cr  Cr0  1  0.000  0.167  0.833  1.0
  Mg  Mg1  1  0.000  0.675  0.837  1.0
  Mg  Mg2  1  1.000  0.163  0.325  1.0
  Mg  Mg3  1  0.000  0.666  0.334  1.0
  Mg  Mg4  1  0.500  0.838  0.668  1.0
  Mg  Mg5  1  0.500  0.332  0.162  1.0
  Mg  Mg6  1  0.500  0.832  0.168  1.0
  Sb  Sb7  1  0.500  0.327  0.673  1.0
[/CIF]
.