data_NaHfW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.49
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfW2
_chemical_formula_sum   'Na1 Hf1 W2'
_cell_volume   76.88
_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  0.75  1.0
  Hf  Hf0  1  0.36  0.25  1.0  1.0
  W  W2  1  0.36  0.25  0.24  1.0
  W  W3  1  0.0  0.0  0.46  1.0

data_NaHfW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.49
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfW2
_chemical_formula_sum   'Na1 Hf1 W2'
_cell_volume   76.88
_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  Na0  1  0.0  0.0  0.75  1.0
  Hf  Hf1  1  0.36  0.25  1.0  1.0
  W  W2  1  0.0  0.0  0.46  1.0
  W  W3  1  0.36  0.25  0.24  1.0

Na Hf W W
Na Hf W W 0 3 o o o 0 1 o o o 1 2 o o + 2 3 o o o 
NaWHfW crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfW cluster and one NaW cluster. In the HfW cluster, Hf(1) is bonded in a distorted single-bond geometry to one W(1) atom. The Hf(1)-W(1) bond length is 1.49 Å. W(1) is bonded in a single-bond geometry to one Hf(1) atom. In the NaW cluster, Na(1) is bonded in a 1-coordinate geometry to one W(2) atom. The Na(1)-W(2) bond length is 1.88 Å. W(2) is bonded in a single-bond geometry to one Na(1) atom.