data_NaHfIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   156.84
_cell_angle_beta   156.84
_cell_angle_gamma   32.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfIn
_chemical_formula_sum   'Na1 Hf1 In1'
_cell_volume   73.73
_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
  Na  Na2  1  0.0  0.0  0.08  1.0
  Hf  Hf0  1  0.0  0.0  0.77  1.0
  In  In1  1  0.0  0.0  0.11  1.0

data_NaHfIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   106.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHfIn
_chemical_formula_sum   'Na2 Hf2 In2'
_cell_volume   147.46
_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
  Na  Na0  2  0.0  0.0  0.92  1.0
  Hf  Hf1  2  0.0  0.0  0.23  1.0
  In  In2  2  0.0  0.0  0.89  1.0

Na Hf In
Na Hf In 0 2 o o o 0 1 o o - 1 1 + o + 1 1 o + + 1 2 o o + 
NaHfIn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaHfIn clusters. Na(1) is bonded in a single-bond geometry to one Hf(1) and one In(1) atom. The Na(1)-Hf(1) bond length is 2.44 Å. The Na(1)-In(1) bond length is 0.22 Å. Hf(1) is bonded in a single-bond geometry to one Na(1) atom. In(1) is bonded in a single-bond geometry to one Na(1) atom.