data_HfNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Sn
_chemical_formula_sum   'Hf1 Ni2 Sn1'
_cell_volume   65.74
_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
  Hf  Hf0  1  0.0  0.0  0.02  1.0
  Ni  Ni1  1  0.65  0.65  0.35  1.0
  Ni  Ni2  1  0.65  0.65  0.69  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_HfNi2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNi2Sn
_chemical_formula_sum   'Hf2 Ni4 Sn2'
_cell_volume   131.49
_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
  Hf  Hf0  2  0.0  0.0  0.02  1.0
  Ni  Ni1  2  0.15  0.5  0.35  1.0
  Ni  Ni2  2  0.15  0.5  0.69  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0

Hf Ni Ni Sn
Hf Ni Ni Sn 0 3 o o o 0 2 - - - 1 2 o o o 2 3 + + + 
HfNi2Sn crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to three equivalent Ni(1) and one Sn(1) atom. There is one shorter (2.57 Å) and two longer (3.14 Å) Hf(1)-Ni(1) bond lengths. The Hf(1)-Sn(1) bond length is 0.11 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to three equivalent Hf(1) and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 2.08 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Ni(1) and three equivalent Sn(1) atoms. There is one shorter (2.49 Å) and two longer (3.07 Å) Ni(2)-Sn(1) bond lengths. Sn(1) is bonded in a single-bond geometry to one Hf(1) and three equivalent Ni(2) atoms.