data_InNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi2Sn
_chemical_formula_sum   'In1 Ni2 Sn1'
_cell_volume   69.38
_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
  In  In0  1  0.0  0.0  0.5  1.0
  Ni  Ni1  1  0.61  0.61  0.22  1.0
  Ni  Ni2  1  0.0  0.0  0.48  1.0
  Sn  Sn3  1  0.61  0.61  0.87  1.0

data_InNi2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InNi2Sn
_chemical_formula_sum   'In2 Ni4 Sn2'
_cell_volume   138.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  In  In0  2  0.0  0.0  0.5  1.0
  Ni  Ni1  2  0.0  0.0  0.48  1.0
  Ni  Ni2  2  0.11  0.5  0.22  1.0
  Sn  Sn3  2  0.11  0.5  0.87  1.0

In Ni Ni Sn
In Ni Ni Sn 0 2 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o - 2 3 o - o 2 3 - o o 2 3 - - o 3 3 + o o 3 3 o + o 
Ni2InSn crystallizes in the monoclinic Cm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to three equivalent Ni(2) and one Sn(1) atom. There is one shorter (2.47 Å) and two longer (2.89 Å) Ni(1)-Ni(2) bond lengths. The Ni(1)-Sn(1) bond length is 2.39 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to three equivalent Ni(1) and one In(1) atom. The Ni(2)-In(1) bond length is 0.13 Å. In(1) is bonded in a single-bond geometry to one Ni(2) and three equivalent Sn(1) atoms. There is one shorter (3.06 Å) and two longer (3.40 Å) In(1)-Sn(1) bond lengths. Sn(1) is bonded in a 8-coordinate geometry to one Ni(1), three equivalent In(1), and four equivalent Sn(1) atoms. All Sn(1)-Sn(1) bond lengths are 3.22 Å.