The material described by Ti3Ni12Al is Uranium Silicide-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six Ni(2,2) and six Ni(3,3,3) atoms to form TiNi12 cuboctahedra that share corners with six equivalent Ti(1)Ni12 cuboctahedra; corners with six equivalent Al(1)Ni12 cuboctahedra; edges with six Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with six Ni(2,2)Ti4Ni8 cuboctahedra; edges with twelve Ni(3,3,3)Ti3AlNi8 cuboctahedra; faces with six equivalent Ti(2)Ni12 cuboctahedra; faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra; and faces with six Ni(2,2)Ti4Ni8 cuboctahedra. In the second Ti site, Ti(2) is bonded to three Ni(1,1); three Ni(2,2); and six Ni(3,3,3) atoms to form TiNi12 cuboctahedra that share corners with six equivalent Ti(2)Ni12 cuboctahedra; corners with twelve Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with six Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with six Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with six Ni(2,2)Ti4Ni8 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with three equivalent Ti(1)Ni12 cuboctahedra; faces with three Ni(1,1)Ti2Al2Ni8 cuboctahedra; faces with three Ni(2,2)Ti4Ni8 cuboctahedra; faces with three equivalent Al(1)Ni12 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ti(2); four Ni(1,1); four Ni(3,3); and two equivalent Al(1) atoms to form distorted NiTi2Al2Ni8 cuboctahedra that share corners with six equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; corners with six equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ti(2)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra; edges with eight Ni(3,3)Ti3AlNi8 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; and faces with ten Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the second Ni site, Ni(1) is bonded to two equivalent Ti(2); four equivalent Ni(1); four Ni(3,3); and two equivalent Al(1) atoms to form distorted NiTi2Al2Ni8 cuboctahedra that share corners with six equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; corners with six equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ti(2)Ni12 cuboctahedra; edges with four equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra; edges with eight Ni(3,3)Ti3AlNi8 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with four equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; and faces with ten Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the third Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ti(2); four Ni(2,2); and four Ni(3,3) atoms to form distorted NiTi4Ni8 cuboctahedra that share corners with six equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; corners with six equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ti(2)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra; edges with eight Ni(3,3)Ti3AlNi8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with four Ni(2,2)Ti4Ni8 cuboctahedra; and faces with ten Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the fourth Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ti(2); four equivalent Ni(2); and four Ni(3,3) atoms to form distorted NiTi4Ni8 cuboctahedra that share corners with six equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; corners with six equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ti(2)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with eight Ni(3,3)Ti3AlNi8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with four equivalent Ni(2)Ti4Ni8 cuboctahedra; and faces with ten Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the fifth Ni site, Ni(3) is bonded to one Ti(1); two equivalent Ti(2); two equivalent Ni(1); two Ni(2,2); four Ni(3,3); and one Al(1) atom to form NiTi3AlNi8 cuboctahedra that share corners with four equivalent Ti(2)Ni12 cuboctahedra; corners with fourteen Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Ti(2)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(3,3)Ti3AlNi8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra;  a faceface with one Ti(1)Ni12 cuboctahedra;  a faceface with one Al(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with five Ni(1,1)Ti2Al2Ni8 cuboctahedra; faces with five Ni(2,2)Ti4Ni8 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the sixth Ni site, Ni(3) is bonded to one Ti(1); two equivalent Ti(2); two Ni(1,1); two Ni(2,2); four Ni(3,3); and one Al(1) atom to form NiTi3AlNi8 cuboctahedra that share corners with four equivalent Ti(2)Ni12 cuboctahedra; corners with fourteen Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Ti(2)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(3,3)Ti3AlNi8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra;  a faceface with one Ti(1)Ni12 cuboctahedra;  a faceface with one Al(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with five Ni(1,1)Ti2Al2Ni8 cuboctahedra; faces with five Ni(2,2)Ti4Ni8 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the seventh Ni site, Ni(3) is bonded to one Ti(1); two equivalent Ti(2); two Ni(1,1); two equivalent Ni(2); four Ni(3,3); and one Al(1) atom to form NiTi3AlNi8 cuboctahedra that share corners with four equivalent Ti(2)Ni12 cuboctahedra; corners with fourteen Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Ti(2)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(3,3)Ti3AlNi8 cuboctahedra; edges with four equivalent Ni(2)Ti4Ni8 cuboctahedra;  a faceface with one Ti(1)Ni12 cuboctahedra;  a faceface with one Al(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with five Ni(1,1)Ti2Al2Ni8 cuboctahedra; faces with five Ni(2,2)Ti4Ni8 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. Al(1) is bonded to six Ni(1,1) and six Ni(3,3,3) atoms to form AlNi12 cuboctahedra that share corners with six equivalent Ti(1)Ni12 cuboctahedra; corners with six equivalent Al(1)Ni12 cuboctahedra; edges with six Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with six Ni(2,2)Ti4Ni8 cuboctahedra; edges with twelve Ni(3,3,3)Ti3AlNi8 cuboctahedra; faces with six equivalent Ti(2)Ni12 cuboctahedra; faces with six Ni(1,1)Ti2Al2Ni8 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3AlNi12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   5.073
_cell_length_c   8.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   184.183
_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
  Ti  Ti0  1  0.333  0.667  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.752  1.0
  Ti  Ti2  1  0.000  0.000  0.248  1.0
  Al  Al3  1  0.667  0.333  0.500  1.0
  Ni  Ni4  1  0.171  0.829  0.500  1.0
  Ni  Ni5  1  0.171  0.343  0.500  1.0
  Ni  Ni6  1  0.657  0.829  0.500  1.0
  Ni  Ni7  1  0.828  0.172  0.000  1.0
  Ni  Ni8  1  0.828  0.656  0.000  1.0
  Ni  Ni9  1  0.344  0.172  0.000  1.0
  Ni  Ni10  1  1.000  0.500  0.749  1.0
  Ni  Ni11  1  0.500  0.500  0.749  1.0
  Ni  Ni12  1  0.500  0.000  0.749  1.0
  Ni  Ni13  1  1.000  0.500  0.251  1.0
  Ni  Ni14  1  0.500  0.500  0.251  1.0
  Ni  Ni15  1  0.500  0.000  0.251  1.0
[/CIF]
.
The material described by Ti3Ni12Al is Uranium Silicide-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six Ni(2,2) and six Ni(3,3,3) atoms to form TiNi12 cuboctahedra that share corners with six equivalent Ti(1)Ni12 cuboctahedra; corners with six equivalent Al(1)Ni12 cuboctahedra; edges with six Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with six Ni(2,2)Ti4Ni8 cuboctahedra; edges with twelve Ni(3,3,3)Ti3AlNi8 cuboctahedra; faces with six equivalent Ti(2)Ni12 cuboctahedra; faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra; and faces with six Ni(2,2)Ti4Ni8 cuboctahedra. In the second Ti site, Ti(2) is bonded to three Ni(1,1); three Ni(2,2); and six Ni(3,3,3) atoms to form TiNi12 cuboctahedra that share corners with six equivalent Ti(2)Ni12 cuboctahedra; corners with twelve Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with six Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with six Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with six Ni(2,2)Ti4Ni8 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with three equivalent Ti(1)Ni12 cuboctahedra; faces with three Ni(1,1)Ti2Al2Ni8 cuboctahedra; faces with three Ni(2,2)Ti4Ni8 cuboctahedra; faces with three equivalent Al(1)Ni12 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ti(2); four Ni(1,1); four Ni(3,3); and two equivalent Al(1) atoms to form distorted NiTi2Al2Ni8 cuboctahedra that share corners with six equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; corners with six equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ti(2)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra; edges with eight Ni(3,3)Ti3AlNi8 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; and faces with ten Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the second Ni site, Ni(1) is bonded to two equivalent Ti(2); four equivalent Ni(1); four Ni(3,3); and two equivalent Al(1) atoms to form distorted NiTi2Al2Ni8 cuboctahedra that share corners with six equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; corners with six equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ti(2)Ni12 cuboctahedra; edges with four equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra; edges with eight Ni(3,3)Ti3AlNi8 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with four equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; and faces with ten Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the third Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ti(2); four Ni(2,2); and four Ni(3,3) atoms to form distorted NiTi4Ni8 cuboctahedra that share corners with six equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; corners with six equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ti(2)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra; edges with eight Ni(3,3)Ti3AlNi8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with four Ni(2,2)Ti4Ni8 cuboctahedra; and faces with ten Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the fourth Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ti(2); four equivalent Ni(2); and four Ni(3,3) atoms to form distorted NiTi4Ni8 cuboctahedra that share corners with six equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; corners with six equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ti(2)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four equivalent Ni(2)Ti4Ni8 cuboctahedra; edges with eight Ni(3,3)Ti3AlNi8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with four equivalent Ni(2)Ti4Ni8 cuboctahedra; and faces with ten Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the fifth Ni site, Ni(3) is bonded to one Ti(1); two equivalent Ti(2); two equivalent Ni(1); two Ni(2,2); four Ni(3,3); and one Al(1) atom to form NiTi3AlNi8 cuboctahedra that share corners with four equivalent Ti(2)Ni12 cuboctahedra; corners with fourteen Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Ti(2)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Ni(1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(3,3)Ti3AlNi8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra;  a faceface with one Ti(1)Ni12 cuboctahedra;  a faceface with one Al(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with five Ni(1,1)Ti2Al2Ni8 cuboctahedra; faces with five Ni(2,2)Ti4Ni8 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the sixth Ni site, Ni(3) is bonded to one Ti(1); two equivalent Ti(2); two Ni(1,1); two Ni(2,2); four Ni(3,3); and one Al(1) atom to form NiTi3AlNi8 cuboctahedra that share corners with four equivalent Ti(2)Ni12 cuboctahedra; corners with fourteen Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Ti(2)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(3,3)Ti3AlNi8 cuboctahedra; edges with four Ni(2,2)Ti4Ni8 cuboctahedra;  a faceface with one Ti(1)Ni12 cuboctahedra;  a faceface with one Al(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with five Ni(1,1)Ti2Al2Ni8 cuboctahedra; faces with five Ni(2,2)Ti4Ni8 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. In the seventh Ni site, Ni(3) is bonded to one Ti(1); two equivalent Ti(2); two Ni(1,1); two equivalent Ni(2); four Ni(3,3); and one Al(1) atom to form NiTi3AlNi8 cuboctahedra that share corners with four equivalent Ti(2)Ni12 cuboctahedra; corners with fourteen Ni(3,3,3)Ti3AlNi8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with two equivalent Ti(2)Ni12 cuboctahedra; edges with two equivalent Al(1)Ni12 cuboctahedra; edges with four Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with four Ni(3,3)Ti3AlNi8 cuboctahedra; edges with four equivalent Ni(2)Ti4Ni8 cuboctahedra;  a faceface with one Ti(1)Ni12 cuboctahedra;  a faceface with one Al(1)Ni12 cuboctahedra; faces with two equivalent Ti(2)Ni12 cuboctahedra; faces with five Ni(1,1)Ti2Al2Ni8 cuboctahedra; faces with five Ni(2,2)Ti4Ni8 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. Al(1) is bonded to six Ni(1,1) and six Ni(3,3,3) atoms to form AlNi12 cuboctahedra that share corners with six equivalent Ti(1)Ni12 cuboctahedra; corners with six equivalent Al(1)Ni12 cuboctahedra; edges with six Ni(1,1)Ti2Al2Ni8 cuboctahedra; edges with six Ni(2,2)Ti4Ni8 cuboctahedra; edges with twelve Ni(3,3,3)Ti3AlNi8 cuboctahedra; faces with six equivalent Ti(2)Ni12 cuboctahedra; faces with six Ni(1,1)Ti2Al2Ni8 cuboctahedra; and faces with six Ni(3,3,3)Ti3AlNi8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3AlNi12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   5.073
_cell_length_c   8.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   184.183
_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
  Ti  Ti0  1  0.333  0.667  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.752  1.0
  Ti  Ti2  1  0.000  0.000  0.248  1.0
  Al  Al3  1  0.667  0.333  0.500  1.0
  Ni  Ni4  1  0.171  0.829  0.500  1.0
  Ni  Ni5  1  0.171  0.343  0.500  1.0
  Ni  Ni6  1  0.657  0.829  0.500  1.0
  Ni  Ni7  1  0.828  0.172  0.000  1.0
  Ni  Ni8  1  0.828  0.656  0.000  1.0
  Ni  Ni9  1  0.344  0.172  0.000  1.0
  Ni  Ni10  1  1.000  0.500  0.749  1.0
  Ni  Ni11  1  0.500  0.500  0.749  1.0
  Ni  Ni12  1  0.500  0.000  0.749  1.0
  Ni  Ni13  1  1.000  0.500  0.251  1.0
  Ni  Ni14  1  0.500  0.500  0.251  1.0
  Ni  Ni15  1  0.500  0.000  0.251  1.0
[/CIF]
.