data_Si7Ni6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39
_cell_length_b   8.39
_cell_length_c   8.39
_cell_angle_alpha   33.88
_cell_angle_beta   33.88
_cell_angle_gamma   33.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si7Ni6
_chemical_formula_sum   'Si7 Ni6'
_cell_volume   163.49
_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
  Si  Si6  1  0.79  0.7  0.88  1.0
  Si  Si7  1  0.0  0.6  0.88  1.0
  Si  Si8  1  0.21  0.7  0.88  1.0
  Si  Si9  1  0.21  0.3  0.82  1.0
  Si  Si10  1  0.79  0.3  0.82  1.0
  Si  Si11  1  0.0  0.4  0.82  1.0
  Si  Si12  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.24  1.0
  Ni  Ni1  1  0.0  0.0  0.46  1.0
  Ni  Ni2  1  0.0  0.0  0.95  1.0
  Ni  Ni3  1  0.0  0.0  0.75  1.0
  Ni  Ni4  1  0.0  0.0  0.78  1.0
  Ni  Ni5  1  0.0  0.0  0.92  1.0

data_Si7Ni6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   8.39
_cell_angle_alpha   73.06
_cell_angle_beta   73.06
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si7Ni6
_chemical_formula_sum   'Si7 Ni6'
_cell_volume   163.49
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.3  0.12  0.37  1.0
  Si  Si2  1  0.3  0.12  0.78  1.0
  Si  Si3  1  0.4  0.12  0.48  1.0
  Si  Si4  1  0.6  0.18  0.22  1.0
  Si  Si5  1  0.7  0.18  0.33  1.0
  Si  Si6  1  0.7  0.18  0.91  1.0
  Ni  Ni7  1  0.0  0.05  0.95  1.0
  Ni  Ni8  1  0.0  0.08  0.92  1.0
  Ni  Ni9  1  0.0  0.22  0.78  1.0
  Ni  Ni10  1  0.0  0.25  0.75  1.0
  Ni  Ni11  1  0.0  0.54  0.46  1.0
  Ni  Ni12  1  0.0  0.76  0.24  1.0

Si Si Si Si Si Si Si Ni Ni Ni Ni Ni Ni
Ni6Si7 crystallizes in the triclinic P1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one Ni(2), one Si(4), one Si(6), and one Si(7) atom. The Ni(1)-Ni(2) bond length is 1.84 Å. The Ni(1)-Si(4) bond length is 2.05 Å. The Ni(1)-Si(6) bond length is 2.00 Å. The Ni(1)-Si(7) bond length is 2.01 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(4), one Si(1), and one Si(2) atom. The Ni(2)-Ni(4) bond length is 2.44 Å. The Ni(2)-Si(1) bond length is 2.05 Å. The Ni(2)-Si(2) bond length is 2.00 Å. In the third Ni site, Ni(3) is bonded in a linear geometry to one Ni(6) and one Si(7) atom. The Ni(3)-Ni(6) bond length is 0.26 Å. The Ni(3)-Si(7) bond length is 0.43 Å. In the fourth Ni site, Ni(4) is bonded in a single-bond geometry to one Ni(2), one Ni(5), and one Si(3) atom. The Ni(4)-Ni(5) bond length is 0.26 Å. The Ni(4)-Si(3) bond length is 1.37 Å. In the fifth Ni site, Ni(5) is bonded in a distorted single-bond geometry to one Ni(4) and one Si(3) atom. The Ni(5)-Si(3) bond length is 1.31 Å. In the sixth Ni site, Ni(6) is bonded in a distorted single-bond geometry to one Ni(3), one Si(3), and one Si(5) atom. The Ni(6)-Si(3) bond length is 1.64 Å. The Ni(6)-Si(5) bond length is 1.31 Å. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one Ni(2), one Si(2), and one Si(6) atom. The Si(1)-Si(2) bond length is 1.18 Å. The Si(1)-Si(6) bond length is 1.72 Å. In the second Si site, Si(2) is bonded in a 1-coordinate geometry to one Ni(2), one Si(1), one Si(3), and one Si(4) atom. The Si(2)-Si(3) bond length is 2.45 Å. The Si(2)-Si(4) bond length is 1.72 Å. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to one Ni(4), one Ni(5), one Ni(6), one Si(2), and one Si(5) atom. The Si(3)-Si(5) bond length is 2.63 Å. In the fourth Si site, Si(4) is bonded in a 3-coordinate geometry to one Ni(1), one Si(2), and one Si(6) atom. The Si(4)-Si(6) bond length is 1.18 Å. In the fifth Si site, Si(5) is bonded in a 1-coordinate geometry to one Ni(6) and one Si(3) atom. In the sixth Si site, Si(6) is bonded in a 1-coordinate geometry to one Ni(1), one Si(1), and one Si(4) atom. In the seventh Si site, Si(7) is bonded in a single-bond geometry to one Ni(1) and one Ni(3) atom.