data_NaHfTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   8.22
_cell_angle_alpha   159.03
_cell_angle_beta   159.03
_cell_angle_gamma   29.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfTi
_chemical_formula_sum   'Na1 Hf1 Ti1'
_cell_volume   70.97
_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  Na1  1  0.0  0.0  0.25  1.0
  Hf  Hf0  1  0.0  0.0  0.37  1.0
  Ti  Ti2  1  0.0  0.0  0.26  1.0

data_NaHfTi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHfTi
_chemical_formula_sum   'Na2 Hf2 Ti2'
_cell_volume   141.94
_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  0.25  0.0  0.25  1.0
  Hf  Hf1  2  0.37  0.0  0.37  1.0
  Ti  Ti2  2  0.26  0.0  0.26  1.0

Na Hf Ti
NaHfTi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaHfTi clusters. Na(1) is bonded in a single-bond geometry to one Ti(1) atom. The Na(1)-Ti(1) bond length is 0.05 Å. Hf(1) is bonded in a single-bond geometry to one Ti(1) atom. The Hf(1)-Ti(1) bond length is 0.88 Å. Ti(1) is bonded in a distorted linear geometry to one Na(1) and one Hf(1) atom.