The material described by NiNb is Frank-Kasper $\mu$ Phase-like structured and crystallizes in the trigonal R-3m space group. There are seven inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to one Nb(2), one Nb(5), three equivalent Nb(3), three equivalent Nb(4), and six equivalent Ni(2) atoms. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to one Nb(1), one Nb(6), three equivalent Nb(3), three equivalent Nb(4), and six equivalent Ni(1) atoms. In the third Nb site, Nb(3) is bonded in a 15-coordinate geometry to three equivalent Nb(1), three equivalent Nb(2), three equivalent Nb(4), three equivalent Ni(1), and three equivalent Ni(2) atoms. In the fourth Nb site, Nb(4) is bonded in a 15-coordinate geometry to three equivalent Nb(1), three equivalent Nb(2), three equivalent Nb(3), three equivalent Ni(1), and three equivalent Ni(2) atoms. In the fifth Nb site, Nb(5) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(5), three equivalent Ni(3), and nine equivalent Ni(2) atoms. In the sixth Nb site, Nb(6) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(6), three equivalent Nb(7), and nine equivalent Ni(1) atoms. In the seventh Nb site, Nb(7) is bonded to six equivalent Nb(6) and six equivalent Ni(1) atoms to form distorted NbNb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Nb8Ni4 cuboctahedra, edges with six equivalent Nb(7)Nb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Nb8Ni4 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Nb(3), one Nb(4), one Nb(7), two equivalent Nb(2), three equivalent Nb(6), and four equivalent Ni(1) atoms to form distorted NiNb8Ni4 cuboctahedra that share corners with two equivalent Nb(7)Nb6Ni6 cuboctahedra, corners with four equivalent Ni(2)Nb7Ni5 cuboctahedra, corners with nine equivalent Ni(1)Nb8Ni4 cuboctahedra,  an edgeedge with one Ni(2)Nb7Ni5 cuboctahedra, edges with four equivalent Ni(1)Nb8Ni4 cuboctahedra, faces with three equivalent Nb(7)Nb6Ni6 cuboctahedra, and faces with ten equivalent Ni(1)Nb8Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded to one Nb(3), one Nb(4), two equivalent Nb(1), three equivalent Nb(5), one Ni(3), and four equivalent Ni(2) atoms to form NiNb7Ni5 cuboctahedra that share corners with two equivalent Ni(3)Nb6Ni6 cuboctahedra, corners with four equivalent Ni(1)Nb8Ni4 cuboctahedra, corners with nine equivalent Ni(2)Nb7Ni5 cuboctahedra,  an edgeedge with one Ni(1)Nb8Ni4 cuboctahedra, edges with four equivalent Ni(2)Nb7Ni5 cuboctahedra, faces with three equivalent Ni(3)Nb6Ni6 cuboctahedra, and faces with ten equivalent Ni(2)Nb7Ni5 cuboctahedra. In the third Ni site, Ni(3) is bonded to six equivalent Nb(5) and six equivalent Ni(2) atoms to form NiNb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(2)Nb7Ni5 cuboctahedra, edges with six equivalent Ni(3)Nb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Nb7Ni5 cuboctahedra. is represented by the CIF card [CIF]
data_NbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.003
_cell_length_b   18.003
_cell_length_c   18.003
_cell_angle_alpha   15.652
_cell_angle_beta   15.652
_cell_angle_gamma   15.652
_symmetry_Int_Tables_number   1
_cell_volume   370.084
_cell_formula_units_Z   13
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
  Nb  Nb0  1  0.775  0.775  0.775  1.0
  Nb  Nb1  1  0.274  0.274  0.274  1.0
  Nb  Nb2  1  0.726  0.726  0.726  1.0
  Nb  Nb3  1  0.225  0.225  0.225  1.0
  Nb  Nb4  1  0.418  0.418  0.418  1.0
  Nb  Nb5  1  0.915  0.915  0.915  1.0
  Nb  Nb6  1  0.085  0.085  0.085  1.0
  Nb  Nb7  1  0.582  0.582  0.582  1.0
  Nb  Nb8  1  0.827  0.827  0.827  1.0
  Nb  Nb9  1  0.327  0.327  0.327  1.0
  Nb  Nb10  1  0.673  0.673  0.673  1.0
  Nb  Nb11  1  0.173  0.173  0.173  1.0
  Nb  Nb12  1  0.000  0.000  0.000  1.0
  Ni  Ni13  1  0.208  0.208  0.702  1.0
  Ni  Ni14  1  0.704  0.704  0.204  1.0
  Ni  Ni15  1  0.702  0.208  0.208  1.0
  Ni  Ni16  1  0.204  0.704  0.704  1.0
  Ni  Ni17  1  0.208  0.702  0.208  1.0
  Ni  Ni18  1  0.704  0.204  0.704  1.0
  Ni  Ni19  1  0.296  0.296  0.796  1.0
  Ni  Ni20  1  0.792  0.792  0.298  1.0
  Ni  Ni21  1  0.796  0.296  0.296  1.0
  Ni  Ni22  1  0.298  0.792  0.792  1.0
  Ni  Ni23  1  0.296  0.796  0.296  1.0
  Ni  Ni24  1  0.792  0.298  0.792  1.0
  Ni  Ni25  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by NiNb is Frank-Kasper $\mu$ Phase-like structured and crystallizes in the trigonal R-3m space group. There are seven inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to one Nb(2), one Nb(5), three equivalent Nb(3), three equivalent Nb(4), and six equivalent Ni(2) atoms. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to one Nb(1), one Nb(6), three equivalent Nb(3), three equivalent Nb(4), and six equivalent Ni(1) atoms. In the third Nb site, Nb(3) is bonded in a 15-coordinate geometry to three equivalent Nb(1), three equivalent Nb(2), three equivalent Nb(4), three equivalent Ni(1), and three equivalent Ni(2) atoms. In the fourth Nb site, Nb(4) is bonded in a 15-coordinate geometry to three equivalent Nb(1), three equivalent Nb(2), three equivalent Nb(3), three equivalent Ni(1), and three equivalent Ni(2) atoms. In the fifth Nb site, Nb(5) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(5), three equivalent Ni(3), and nine equivalent Ni(2) atoms. In the sixth Nb site, Nb(6) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(6), three equivalent Nb(7), and nine equivalent Ni(1) atoms. In the seventh Nb site, Nb(7) is bonded to six equivalent Nb(6) and six equivalent Ni(1) atoms to form distorted NbNb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Nb8Ni4 cuboctahedra, edges with six equivalent Nb(7)Nb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Nb8Ni4 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Nb(3), one Nb(4), one Nb(7), two equivalent Nb(2), three equivalent Nb(6), and four equivalent Ni(1) atoms to form distorted NiNb8Ni4 cuboctahedra that share corners with two equivalent Nb(7)Nb6Ni6 cuboctahedra, corners with four equivalent Ni(2)Nb7Ni5 cuboctahedra, corners with nine equivalent Ni(1)Nb8Ni4 cuboctahedra,  an edgeedge with one Ni(2)Nb7Ni5 cuboctahedra, edges with four equivalent Ni(1)Nb8Ni4 cuboctahedra, faces with three equivalent Nb(7)Nb6Ni6 cuboctahedra, and faces with ten equivalent Ni(1)Nb8Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded to one Nb(3), one Nb(4), two equivalent Nb(1), three equivalent Nb(5), one Ni(3), and four equivalent Ni(2) atoms to form NiNb7Ni5 cuboctahedra that share corners with two equivalent Ni(3)Nb6Ni6 cuboctahedra, corners with four equivalent Ni(1)Nb8Ni4 cuboctahedra, corners with nine equivalent Ni(2)Nb7Ni5 cuboctahedra,  an edgeedge with one Ni(1)Nb8Ni4 cuboctahedra, edges with four equivalent Ni(2)Nb7Ni5 cuboctahedra, faces with three equivalent Ni(3)Nb6Ni6 cuboctahedra, and faces with ten equivalent Ni(2)Nb7Ni5 cuboctahedra. In the third Ni site, Ni(3) is bonded to six equivalent Nb(5) and six equivalent Ni(2) atoms to form NiNb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(2)Nb7Ni5 cuboctahedra, edges with six equivalent Ni(3)Nb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Nb7Ni5 cuboctahedra. is represented by the CIF card [CIF]
data_NbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.003
_cell_length_b   18.003
_cell_length_c   18.003
_cell_angle_alpha   15.652
_cell_angle_beta   15.652
_cell_angle_gamma   15.652
_symmetry_Int_Tables_number   1
_cell_volume   370.084
_cell_formula_units_Z   13
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
  Nb  Nb0  1  0.775  0.775  0.775  1.0
  Nb  Nb1  1  0.274  0.274  0.274  1.0
  Nb  Nb2  1  0.726  0.726  0.726  1.0
  Nb  Nb3  1  0.225  0.225  0.225  1.0
  Nb  Nb4  1  0.418  0.418  0.418  1.0
  Nb  Nb5  1  0.915  0.915  0.915  1.0
  Nb  Nb6  1  0.085  0.085  0.085  1.0
  Nb  Nb7  1  0.582  0.582  0.582  1.0
  Nb  Nb8  1  0.827  0.827  0.827  1.0
  Nb  Nb9  1  0.327  0.327  0.327  1.0
  Nb  Nb10  1  0.673  0.673  0.673  1.0
  Nb  Nb11  1  0.173  0.173  0.173  1.0
  Nb  Nb12  1  0.000  0.000  0.000  1.0
  Ni  Ni13  1  0.208  0.208  0.702  1.0
  Ni  Ni14  1  0.704  0.704  0.204  1.0
  Ni  Ni15  1  0.702  0.208  0.208  1.0
  Ni  Ni16  1  0.204  0.704  0.704  1.0
  Ni  Ni17  1  0.208  0.702  0.208  1.0
  Ni  Ni18  1  0.704  0.204  0.704  1.0
  Ni  Ni19  1  0.296  0.296  0.796  1.0
  Ni  Ni20  1  0.792  0.792  0.298  1.0
  Ni  Ni21  1  0.796  0.296  0.296  1.0
  Ni  Ni22  1  0.298  0.792  0.792  1.0
  Ni  Ni23  1  0.296  0.796  0.296  1.0
  Ni  Ni24  1  0.792  0.298  0.792  1.0
  Ni  Ni25  1  0.500  0.500  0.500  1.0
[/CIF]
.