data_SiNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiSn2
_chemical_formula_sum   'Si1 Ni1 Sn2'
_cell_volume   75.12
_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  Si1  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.8  1.0
  Sn  Sn2  1  0.13  0.0  0.13  1.0
  Sn  Sn3  1  0.13  0.0  0.46  1.0

data_SiNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiSn2
_chemical_formula_sum   'Si1 Ni1 Sn2'
_cell_volume   75.12
_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
  Ni  Ni1  1  0.0  0.0  0.8  1.0
  Sn  Sn2  1  0.13  0.0  0.13  1.0
  Sn  Sn3  1  0.13  0.0  0.46  1.0

Si Ni Sn Sn
NiSn2Si crystallizes in the triclinic P1 space group. Ni(1) is bonded in a distorted linear geometry to one Sn(2) and one Si(1) atom. The Ni(1)-Sn(2) bond length is 2.60 Å. The Ni(1)-Si(1) bond length is 1.54 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Sn(2) and one Si(1) atom. The Sn(1)-Sn(2) bond length is 2.46 Å. The Sn(1)-Si(1) bond length is 1.11 Å. In the second Sn site, Sn(2) is bonded to one Ni(1), one Sn(1), and four equivalent Sn(2) atoms to form a mixture of distorted edge and corner-sharing SnNiSn5 octahedra. The corner-sharing octahedra are not tilted. All Sn(2)-Sn(2) bond lengths are 3.15 Å. Si(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one Sn(1) atom.