data_AlInNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlInNi4
_chemical_formula_sum   'Al1 In1 Ni4'
_cell_volume   78.39
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.1  0.1  0.1  1.0
  Ni  Ni2  1  0.25  0.54  0.25  1.0
  Ni  Ni3  1  0.54  0.25  0.25  1.0
  Ni  Ni4  1  0.54  0.54  0.54  1.0
  Ni  Ni5  1  0.25  0.25  0.54  1.0

data_AlInNi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlInNi4
_chemical_formula_sum   'Al3 In3 Ni12'
_cell_volume   235.16
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Al  Al0  3  0.0  0.0  0.0  1.0
  In  In1  3  0.0  0.0  0.9  1.0
  Ni  Ni2  9  0.1  0.2  0.65  1.0
  Ni  Ni3  3  0.0  0.0  0.46  1.0

Al In Ni Ni Ni Ni
Ni4InAl crystallizes in the trigonal R3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a 15-coordinate geometry to nine equivalent Ni(1), three equivalent In(1), and three equivalent Al(1) atoms. There are three shorter (2.46 Å) and six longer (2.95 Å) Ni(2)-Ni(1) bond lengths. All Ni(2)-In(1) bond lengths are 3.09 Å. All Ni(2)-Al(1) bond lengths are 3.12 Å. In the second Ni site, Ni(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), and one Al(1) atom. Both Ni(1)-Ni(1) bond lengths are 1.42 Å. The Ni(1)-Al(1) bond length is 1.96 Å. In(1) is bonded in a single-bond geometry to three equivalent Ni(2) and one Al(1) atom. The In(1)-Al(1) bond length is 1.12 Å. Al(1) is bonded in a distorted single-bond geometry to three equivalent Ni(1), three equivalent Ni(2), and one In(1) atom.