data_Al3Si2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Si2Ni3
_chemical_formula_sum   'Al6 Si4 Ni6'
_cell_volume   203.46
_cell_formula_units_Z   2
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  0.32  0.64  0.56  1.0
  Al  Al1  1  0.84  0.46  0.56  1.0
  Al  Al2  1  0.36  0.0  0.56  1.0
  Al  Al3  1  0.16  0.46  0.19  1.0
  Al  Al4  1  0.68  0.64  0.19  1.0
  Al  Al5  1  0.68  0.0  0.19  1.0
  Si  Si12  1  0.52  0.03  0.37  1.0
  Si  Si13  1  0.0  0.06  0.0  1.0
  Si  Si14  1  0.0  0.06  0.37  1.0
  Si  Si15  1  0.52  0.03  0.0  1.0
  Ni  Ni6  1  0.56  0.5  0.56  1.0
  Ni  Ni7  1  0.08  0.59  0.56  1.0
  Ni  Ni8  1  0.89  0.0  0.56  1.0
  Ni  Ni9  1  0.92  0.59  0.19  1.0
  Ni  Ni10  1  0.44  0.5  0.19  1.0
  Ni  Ni11  1  0.15  0.0  0.19  1.0

data_Al3Si2Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Si2Ni3
_chemical_formula_sum   'Al6 Si4 Ni6'
_cell_volume   203.46
_cell_formula_units_Z   2
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  0.19  0.16  0.46  1.0
  Al  Al1  1  0.19  0.68  0.64  1.0
  Al  Al2  1  0.19  0.68  0.0  1.0
  Al  Al3  1  0.56  0.32  0.64  1.0
  Al  Al4  1  0.56  0.36  0.0  1.0
  Al  Al5  1  0.56  0.84  0.46  1.0
  Si  Si6  1  -0.0  0.0  0.06  1.0
  Si  Si7  1  -0.0  0.52  0.03  1.0
  Si  Si8  1  0.37  0.0  0.06  1.0
  Si  Si9  1  0.37  0.52  0.03  1.0
  Ni  Ni10  1  0.19  0.15  0.0  1.0
  Ni  Ni11  1  0.19  0.44  0.5  1.0
  Ni  Ni12  1  0.19  0.92  0.59  1.0
  Ni  Ni13  1  0.56  0.08  0.59  1.0
  Ni  Ni14  1  0.56  0.56  0.5  1.0
  Ni  Ni15  1  0.56  0.89  0.0  1.0

Al Al Al Al Al Al Si Si Si Si Ni Ni Ni Ni Ni Ni
Ni3Al3Si2 crystallizes in the triclinic P1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), and one Al(5) atom. The Ni(1)-Al(1) bond length is 2.29 Å. The Ni(1)-Al(2) bond length is 2.17 Å. The Ni(1)-Al(5) bond length is 1.99 Å. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Al(1), one Al(2), and one Al(4) atom. The Ni(2)-Al(1) bond length is 1.61 Å. The Ni(2)-Al(2) bond length is 1.43 Å. The Ni(2)-Al(4) bond length is 2.23 Å. In the third Ni site, Ni(3) is bonded in a distorted single-bond geometry to one Si(2) and one Si(3) atom. The Ni(3)-Si(2) bond length is 2.21 Å. The Ni(3)-Si(3) bond length is 1.12 Å. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one Al(2), one Al(4), and one Al(5) atom. The Ni(4)-Al(2) bond length is 1.95 Å. The Ni(4)-Al(4) bond length is 2.29 Å. The Ni(4)-Al(5) bond length is 1.91 Å. In the fifth Ni site, Ni(5) is bonded in a distorted bent 150 degrees geometry to one Al(4) and one Al(5) atom. The Ni(5)-Al(4) bond length is 1.87 Å. The Ni(5)-Al(5) bond length is 1.43 Å. In the sixth Ni site, Ni(6) is bonded in a 3-coordinate geometry to one Al(3), one Si(2), and one Si(3) atom. The Ni(6)-Al(3) bond length is 2.28 Å. The Ni(6)-Si(2) bond length is 1.60 Å. The Ni(6)-Si(3) bond length is 1.60 Å. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and one Al(4) atom. The Al(1)-Al(4) bond length is 2.14 Å. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one Ni(4) atom. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one Ni(6) and one Si(1) atom. The Al(3)-Si(1) bond length is 1.38 Å. In the fourth Al site, Al(4) is bonded in a 6-coordinate geometry to one Ni(2), one Ni(4), one Ni(5), one Al(1), one Si(2), and one Si(3) atom. The Al(4)-Si(2) bond length is 2.57 Å. The Al(4)-Si(3) bond length is 2.57 Å. In the fifth Al site, Al(5) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), one Ni(5), and one Si(2) atom. The Al(5)-Si(2) bond length is 2.84 Å. In the sixth Al site, Al(6) is bonded in a 2-coordinate geometry to one Si(1), one Si(2), one Si(3), and one Si(4) atom. The Al(6)-Si(1) bond length is 1.55 Å. The Al(6)-Si(2) bond length is 2.23 Å. The Al(6)-Si(3) bond length is 2.23 Å. The Al(6)-Si(4) bond length is 1.55 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to one Al(3) and one Al(6) atom. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to one Ni(3), one Ni(6), one Al(4), one Al(5), one Al(6), and one Si(3) atom. The Si(2)-Si(3) bond length is 1.76 Å. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to one Ni(3), one Ni(6), one Al(4), one Al(6), and one Si(2) atom. In the fourth Si site, Si(4) is bonded in a 1-coordinate geometry to one Al(6) atom.