data_MgNi6Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi6Pd
_chemical_formula_sum   'Mg4 Ni24 Pd4'
_cell_volume   382.88
_cell_formula_units_Z   4
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  0.63  0.43  0.0  1.0
  Mg  Mg1  1  0.63  0.57  0.0  1.0
  Mg  Mg2  1  0.0  0.0  0.7  1.0
  Mg  Mg3  1  0.0  0.0  0.56  1.0
  Ni  Ni4  1  0.63  0.44  0.69  1.0
  Ni  Ni5  1  0.82  0.72  0.98  1.0
  Ni  Ni6  1  0.44  0.28  0.98  1.0
  Ni  Ni7  1  0.63  0.56  0.69  1.0
  Ni  Ni8  1  0.44  0.72  0.98  1.0
  Ni  Ni9  1  0.82  0.28  0.98  1.0
  Ni  Ni10  1  0.0  0.0  0.13  1.0
  Ni  Ni11  1  0.44  0.28  0.42  1.0
  Ni  Ni12  1  0.44  0.72  0.42  1.0
  Ni  Ni13  1  0.63  0.44  0.57  1.0
  Ni  Ni14  1  0.82  0.72  0.84  1.0
  Ni  Ni15  1  0.44  0.28  0.84  1.0
  Ni  Ni16  1  0.63  0.56  0.57  1.0
  Ni  Ni17  1  0.44  0.72  0.84  1.0
  Ni  Ni18  1  0.82  0.28  0.84  1.0
  Ni  Ni19  1  0.0  0.0  0.0  1.0
  Ni  Ni20  1  0.44  0.28  0.28  1.0
  Ni  Ni21  1  0.44  0.72  0.28  1.0
  Ni  Ni22  1  0.63  0.0  0.13  1.0
  Ni  Ni23  1  0.82  0.28  0.42  1.0
  Ni  Ni24  1  0.82  0.72  0.42  1.0
  Ni  Ni25  1  0.63  0.0  0.0  1.0
  Ni  Ni26  1  0.82  0.28  0.28  1.0
  Ni  Ni27  1  0.82  0.72  0.28  1.0
  Pd  Pd28  1  0.63  0.4  0.13  1.0
  Pd  Pd29  1  0.63  0.6  0.13  1.0
  Pd  Pd30  1  0.63  0.0  0.7  1.0
  Pd  Pd31  1  0.63  0.0  0.56  1.0

data_MgNi6Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi6Pd
_chemical_formula_sum   'Mg4 Ni24 Pd4'
_cell_volume   382.88
_cell_formula_units_Z   4
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  0.0  0.0  0.56  1.0
  Mg  Mg1  1  0.0  0.0  0.7  1.0
  Mg  Mg2  1  0.63  0.43  -0.0  1.0
  Mg  Mg3  1  0.63  0.57  -0.0  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.13  1.0
  Ni  Ni6  1  0.44  0.28  0.28  1.0
  Ni  Ni7  1  0.44  0.28  0.98  1.0
  Ni  Ni8  1  0.44  0.72  0.28  1.0
  Ni  Ni9  1  0.44  0.72  0.98  1.0
  Ni  Ni10  1  0.44  0.28  0.42  1.0
  Ni  Ni11  1  0.44  0.28  0.84  1.0
  Ni  Ni12  1  0.44  0.72  0.42  1.0
  Ni  Ni13  1  0.44  0.72  0.84  1.0
  Ni  Ni14  1  0.63  0.0  0.0  1.0
  Ni  Ni15  1  0.63  0.0  0.13  1.0
  Ni  Ni16  1  0.63  0.44  0.57  1.0
  Ni  Ni17  1  0.63  0.44  0.69  1.0
  Ni  Ni18  1  0.63  0.56  0.57  1.0
  Ni  Ni19  1  0.63  0.56  0.69  1.0
  Ni  Ni20  1  0.82  0.28  0.42  1.0
  Ni  Ni21  1  0.82  0.28  0.84  1.0
  Ni  Ni22  1  0.82  0.72  0.42  1.0
  Ni  Ni23  1  0.82  0.72  0.84  1.0
  Ni  Ni24  1  0.82  0.28  0.28  1.0
  Ni  Ni25  1  0.82  0.28  0.98  1.0
  Ni  Ni26  1  0.82  0.72  0.28  1.0
  Ni  Ni27  1  0.82  0.72  0.98  1.0
  Pd  Pd28  1  0.63  0.0  0.56  1.0
  Pd  Pd29  1  0.63  0.0  0.7  1.0
  Pd  Pd30  1  0.63  0.4  0.13  1.0
  Pd  Pd31  1  0.63  0.6  0.13  1.0

Mg Mg Mg Mg Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Pd Pd Pd Pd
Mg Mg Mg Mg Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Pd Pd Pd Pd 0 1 o o o 0 6 o o - 0 28 o o o 1 5 o o - 1 29 o o o 2 3 o o o 4 7 o o o 5 14 o o o 6 15 o o o 8 17 o o o 9 18 o o o 10 19 o o o 11 20 o o o 12 21 o o o 13 16 o o o 22 25 o o o 23 26 o o o 24 27 o o o 28 29 o o o 30 31 o o o 
MgPdNi6 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Mg(2), one Pd(1), one Ni(3), and one Ni(6) atom. The Mg(1)-Mg(2) bond length is 0.93 Å. The Mg(1)-Pd(1) bond length is 1.35 Å. The Mg(1)-Ni(3) bond length is 1.26 Å. The Mg(1)-Ni(6) bond length is 1.74 Å. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pd(2), one Ni(2), and one Ni(5) atom. The Mg(2)-Pd(2) bond length is 1.35 Å. The Mg(2)-Ni(2) bond length is 1.26 Å. The Mg(2)-Ni(5) bond length is 1.74 Å. In the third Mg site, Mg(3) is bonded in a 7-coordinate geometry to one Mg(4), one Pd(3), one Ni(11), one Ni(12), one Ni(15), one Ni(16), and one Ni(4) atom. The Mg(3)-Mg(4) bond length is 1.43 Å. The Mg(3)-Pd(3) bond length is 2.31 Å. The Mg(3)-Ni(11) bond length is 2.30 Å. The Mg(3)-Ni(12) bond length is 3.13 Å. The Mg(3)-Ni(15) bond length is 2.82 Å. The Mg(3)-Ni(16) bond length is 3.07 Å. The Mg(3)-Ni(4) bond length is 2.94 Å. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one Mg(3), one Pd(4), one Ni(20), one Ni(21), and one Ni(8) atom. The Mg(4)-Pd(4) bond length is 2.31 Å. The Mg(4)-Ni(20) bond length is 2.82 Å. The Mg(4)-Ni(21) bond length is 2.30 Å. The Mg(4)-Ni(8) bond length is 3.13 Å. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Mg(1), one Ni(17), and one Ni(23) atom. The Pd(1)-Ni(17) bond length is 1.96 Å. The Pd(1)-Ni(23) bond length is 2.24 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Mg(2), one Ni(18), and one Ni(24) atom. The Pd(2)-Ni(18) bond length is 2.24 Å. The Pd(2)-Ni(24) bond length is 1.96 Å. In the third Pd site, Pd(3) is bonded in a 4-coordinate geometry to one Mg(3), one Pd(4), one Ni(14), and one Ni(15) atom. The Pd(3)-Pd(4) bond length is 1.41 Å. The Pd(3)-Ni(14) bond length is 2.32 Å. The Pd(3)-Ni(15) bond length is 2.32 Å. In the fourth Pd site, Pd(4) is bonded in a 4-coordinate geometry to one Mg(4), one Pd(3), one Ni(20), and one Ni(9) atom. The Pd(4)-Ni(20) bond length is 2.32 Å. The Pd(4)-Ni(9) bond length is 2.32 Å. There are twenty-four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Ni(4) atom. The Ni(1)-Ni(4) bond length is 0.81 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Mg(2), one Ni(11), and one Ni(16) atom. The Ni(2)-Ni(11) bond length is 1.38 Å. The Ni(2)-Ni(16) bond length is 1.76 Å. In the third Ni site, Ni(3) is bonded in a single-bond geometry to one Mg(1) and one Ni(12) atom. The Ni(3)-Ni(12) bond length is 1.38 Å. In the fourth Ni site, Ni(4) is bonded in a distorted single-bond geometry to one Mg(3) and one Ni(1) atom. In the fifth Ni site, Ni(5) is bonded in a 1-coordinate geometry to one Mg(2), one Ni(14), and one Ni(22) atom. The Ni(5)-Ni(14) bond length is 1.38 Å. The Ni(5)-Ni(22) bond length is 1.79 Å. In the sixth Ni site, Ni(6) is bonded in a 1-coordinate geometry to one Mg(1), one Ni(15), and one Ni(22) atom. The Ni(6)-Ni(15) bond length is 1.38 Å. The Ni(6)-Ni(22) bond length is 1.79 Å. In the seventh Ni site, Ni(7) is bonded in a distorted single-bond geometry to one Ni(16) atom. The Ni(7)-Ni(16) bond length is 1.34 Å. In the eighth Ni site, Ni(8) is bonded in a 1-coordinate geometry to one Mg(4) and one Ni(17) atom. The Ni(8)-Ni(17) bond length is 1.38 Å. In the ninth Ni site, Ni(9) is bonded in a distorted bent 120 degrees geometry to one Pd(4) and one Ni(18) atom. The Ni(9)-Ni(18) bond length is 1.38 Å. In the tenth Ni site, Ni(10) is bonded in a distorted single-bond geometry to one Ni(13) atom. The Ni(10)-Ni(13) bond length is 0.81 Å. In the eleventh Ni site, Ni(11) is bonded in a 2-coordinate geometry to one Mg(3) and one Ni(2) atom. In the twelfth Ni site, Ni(12) is bonded in a 1-coordinate geometry to one Mg(3) and one Ni(3) atom. In the thirteenth Ni site, Ni(13) is bonded in a distorted single-bond geometry to one Ni(10) and one Ni(21) atom. The Ni(13)-Ni(21) bond length is 1.97 Å. In the fourteenth Ni site, Ni(14) is bonded in a 2-coordinate geometry to one Pd(3) and one Ni(5) atom. In the fifteenth Ni site, Ni(15) is bonded in a 2-coordinate geometry to one Mg(3), one Pd(3), and one Ni(6) atom. In the sixteenth Ni site, Ni(16) is bonded in a 2-coordinate geometry to one Mg(3), one Ni(2), and one Ni(7) atom. In the seventeenth Ni site, Ni(17) is bonded in a distorted bent 150 degrees geometry to one Pd(1) and one Ni(8) atom. In the eighteenth Ni site, Ni(18) is bonded in a 2-coordinate geometry to one Pd(2) and one Ni(9) atom. In the nineteenth Ni site, Ni(19) is bonded in a distorted single-bond geometry to one Ni(22) atom. The Ni(19)-Ni(22) bond length is 1.34 Å. In the twentieth Ni site, Ni(20) is bonded in a 2-coordinate geometry to one Mg(4), one Pd(4), and one Ni(23) atom. The Ni(20)-Ni(23) bond length is 1.38 Å. In the twenty-first Ni site, Ni(21) is bonded in a 3-coordinate geometry to one Mg(4), one Ni(13), and one Ni(24) atom. The Ni(21)-Ni(24) bond length is 1.38 Å. In the twenty-second Ni site, Ni(22) is bonded in a 3-coordinate geometry to one Ni(19), one Ni(5), and one Ni(6) atom. In the twenty-third Ni site, Ni(23) is bonded in a 2-coordinate geometry to one Pd(1) and one Ni(20) atom. In the twenty-fourth Ni site, Ni(24) is bonded in a distorted bent 150 degrees geometry to one Pd(2) and one Ni(21) atom.