The material structure described by Mg3PrNi8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 16-coordinate geometry to one Mg(3), three equivalent Mg(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to three equivalent Mg(1), one Pr(1), three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. In the third Mg site, Mg(3) is bonded in a 16-coordinate geometry to one Mg(1), three equivalent Pr(1), three equivalent Ni(1), three equivalent Ni(4), and six equivalent Ni(2) atoms. Pr(1) is bonded in a 16-coordinate geometry to one Mg(2), three equivalent Mg(3), three equivalent Ni(2), three equivalent Ni(4), and six equivalent Ni(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Mg(1), one Mg(3), two equivalent Mg(2), two equivalent Pr(1), one Ni(3), one Ni(4), and four equivalent Ni(1) atoms to form NiPr2Mg4Ni6 cuboctahedra that share corners with two equivalent Ni(3)Mg6Ni6 cuboctahedra, corners with two equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, corners with four equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, corners with ten equivalent Ni(2)PrMg5Ni6 cuboctahedra, edges with two equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, edges with four equivalent Ni(2)PrMg5Ni6 cuboctahedra, faces with three equivalent Ni(3)Mg6Ni6 cuboctahedra, faces with three equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, faces with four equivalent Ni(2)PrMg5Ni6 cuboctahedra, and faces with eight equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), one Pr(1), one Ni(3), one Ni(4), and four equivalent Ni(2) atoms to form NiPrMg5Ni6 cuboctahedra that share corners with two equivalent Ni(3)Mg6Ni6 cuboctahedra, corners with two equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, corners with four equivalent Ni(2)PrMg5Ni6 cuboctahedra, corners with ten equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, edges with two equivalent Ni(2)PrMg5Ni6 cuboctahedra, edges with four equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, faces with three equivalent Ni(3)Mg6Ni6 cuboctahedra, faces with three equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, faces with four equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, and faces with eight equivalent Ni(2)PrMg5Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Mg(1), three equivalent Mg(2), three equivalent Ni(1), and three equivalent Ni(2) atoms to form NiMg6Ni6 cuboctahedra that share corners with six equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, corners with six equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, corners with six equivalent Ni(2)PrMg5Ni6 cuboctahedra, edges with six equivalent Ni(3)Mg6Ni6 cuboctahedra, faces with nine equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, and faces with nine equivalent Ni(2)PrMg5Ni6 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to three equivalent Mg(3), three equivalent Pr(1), three equivalent Ni(1), and three equivalent Ni(2) atoms to form NiPr3Mg3Ni6 cuboctahedra that share corners with six equivalent Ni(3)Mg6Ni6 cuboctahedra, corners with six equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, corners with six equivalent Ni(2)PrMg5Ni6 cuboctahedra, edges with six equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, faces with nine equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, and faces with nine equivalent Ni(2)PrMg5Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrMg3Ni8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.922
_cell_length_b   4.922
_cell_length_c   8.519
_cell_angle_alpha   73.207
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.512
_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
  Pr  Pr0  1  1.000  0.999  0.001  1.0
  Mg  Mg1  1  0.501  0.001  0.498  1.0
  Mg  Mg2  1  0.871  0.742  0.387  1.0
  Mg  Mg3  1  0.381  0.761  0.858  1.0
  Ni  Ni4  1  0.436  0.368  0.196  1.0
  Ni  Ni5  1  0.938  0.382  0.680  1.0
  Ni  Ni6  1  0.436  0.871  0.196  1.0
  Ni  Ni7  1  0.938  0.876  0.680  1.0
  Ni  Ni8  1  0.187  0.374  0.439  1.0
  Ni  Ni9  1  0.688  0.376  0.936  1.0
  Ni  Ni10  1  0.932  0.368  0.196  1.0
  Ni  Ni11  1  0.444  0.382  0.680  1.0
[/CIF]
.
The material structure described by Mg3PrNi8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 16-coordinate geometry to one Mg(3), three equivalent Mg(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to three equivalent Mg(1), one Pr(1), three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. In the third Mg site, Mg(3) is bonded in a 16-coordinate geometry to one Mg(1), three equivalent Pr(1), three equivalent Ni(1), three equivalent Ni(4), and six equivalent Ni(2) atoms. Pr(1) is bonded in a 16-coordinate geometry to one Mg(2), three equivalent Mg(3), three equivalent Ni(2), three equivalent Ni(4), and six equivalent Ni(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Mg(1), one Mg(3), two equivalent Mg(2), two equivalent Pr(1), one Ni(3), one Ni(4), and four equivalent Ni(1) atoms to form NiPr2Mg4Ni6 cuboctahedra that share corners with two equivalent Ni(3)Mg6Ni6 cuboctahedra, corners with two equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, corners with four equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, corners with ten equivalent Ni(2)PrMg5Ni6 cuboctahedra, edges with two equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, edges with four equivalent Ni(2)PrMg5Ni6 cuboctahedra, faces with three equivalent Ni(3)Mg6Ni6 cuboctahedra, faces with three equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, faces with four equivalent Ni(2)PrMg5Ni6 cuboctahedra, and faces with eight equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), one Pr(1), one Ni(3), one Ni(4), and four equivalent Ni(2) atoms to form NiPrMg5Ni6 cuboctahedra that share corners with two equivalent Ni(3)Mg6Ni6 cuboctahedra, corners with two equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, corners with four equivalent Ni(2)PrMg5Ni6 cuboctahedra, corners with ten equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, edges with two equivalent Ni(2)PrMg5Ni6 cuboctahedra, edges with four equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, faces with three equivalent Ni(3)Mg6Ni6 cuboctahedra, faces with three equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, faces with four equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, and faces with eight equivalent Ni(2)PrMg5Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Mg(1), three equivalent Mg(2), three equivalent Ni(1), and three equivalent Ni(2) atoms to form NiMg6Ni6 cuboctahedra that share corners with six equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, corners with six equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, corners with six equivalent Ni(2)PrMg5Ni6 cuboctahedra, edges with six equivalent Ni(3)Mg6Ni6 cuboctahedra, faces with nine equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, and faces with nine equivalent Ni(2)PrMg5Ni6 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to three equivalent Mg(3), three equivalent Pr(1), three equivalent Ni(1), and three equivalent Ni(2) atoms to form NiPr3Mg3Ni6 cuboctahedra that share corners with six equivalent Ni(3)Mg6Ni6 cuboctahedra, corners with six equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, corners with six equivalent Ni(2)PrMg5Ni6 cuboctahedra, edges with six equivalent Ni(4)Pr3Mg3Ni6 cuboctahedra, faces with nine equivalent Ni(1)Pr2Mg4Ni6 cuboctahedra, and faces with nine equivalent Ni(2)PrMg5Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrMg3Ni8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.922
_cell_length_b   4.922
_cell_length_c   8.519
_cell_angle_alpha   73.207
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.512
_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
  Pr  Pr0  1  1.000  0.999  0.001  1.0
  Mg  Mg1  1  0.501  0.001  0.498  1.0
  Mg  Mg2  1  0.871  0.742  0.387  1.0
  Mg  Mg3  1  0.381  0.761  0.858  1.0
  Ni  Ni4  1  0.436  0.368  0.196  1.0
  Ni  Ni5  1  0.938  0.382  0.680  1.0
  Ni  Ni6  1  0.436  0.871  0.196  1.0
  Ni  Ni7  1  0.938  0.876  0.680  1.0
  Ni  Ni8  1  0.187  0.374  0.439  1.0
  Ni  Ni9  1  0.688  0.376  0.936  1.0
  Ni  Ni10  1  0.932  0.368  0.196  1.0
  Ni  Ni11  1  0.444  0.382  0.680  1.0
[/CIF]
.