The material structure described by NiTi is Tetraauricupride structured and crystallizes in the tetragonal P4/nmm space group. Ti(1) is bonded to four equivalent Ti(1) and eight equivalent Ni(1) atoms to form distorted TiTi4Ni8 cuboctahedra that share corners with twelve equivalent Ti(1)Ti4Ni8 cuboctahedra, edges with eight equivalent Ti(1)Ti4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Ti8Ni4 cuboctahedra, faces with eight equivalent Ni(1)Ti8Ni4 cuboctahedra, and faces with ten equivalent Ti(1)Ti4Ni8 cuboctahedra. Ni(1) is bonded to eight equivalent Ti(1) and four equivalent Ni(1) atoms to form distorted NiTi8Ni4 cuboctahedra that share corners with twelve equivalent Ni(1)Ti8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Ti8Ni4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti4Ni8 cuboctahedra, faces with eight equivalent Ti(1)Ti4Ni8 cuboctahedra, and faces with ten equivalent Ni(1)Ti8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.703
_cell_length_b   2.703
_cell_length_c   3.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   26.558
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by NiTi is Tetraauricupride structured and crystallizes in the tetragonal P4/nmm space group. Ti(1) is bonded to four equivalent Ti(1) and eight equivalent Ni(1) atoms to form distorted TiTi4Ni8 cuboctahedra that share corners with twelve equivalent Ti(1)Ti4Ni8 cuboctahedra, edges with eight equivalent Ti(1)Ti4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Ti8Ni4 cuboctahedra, faces with eight equivalent Ni(1)Ti8Ni4 cuboctahedra, and faces with ten equivalent Ti(1)Ti4Ni8 cuboctahedra. Ni(1) is bonded to eight equivalent Ti(1) and four equivalent Ni(1) atoms to form distorted NiTi8Ni4 cuboctahedra that share corners with twelve equivalent Ni(1)Ti8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Ti8Ni4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti4Ni8 cuboctahedra, faces with eight equivalent Ti(1)Ti4Ni8 cuboctahedra, and faces with ten equivalent Ni(1)Ti8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.703
_cell_length_b   2.703
_cell_length_c   3.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   26.558
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
[/CIF]
.