data_NaHfZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.9
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfZn2
_chemical_formula_sum   'Na1 Hf1 Zn2'
_cell_volume   76.13
_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  0.69  1.0
  Hf  Hf0  1  0.0  0.45  0.01  1.0
  Zn  Zn2  1  0.58  0.45  0.52  1.0
  Zn  Zn3  1  0.58  0.0  0.16  1.0

data_NaHfZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.9
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfZn2
_chemical_formula_sum   'Na1 Hf1 Zn2'
_cell_volume   76.13
_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  0.69  1.0
  Hf  Hf1  1  -0.0  0.45  0.01  1.0
  Zn  Zn2  1  0.58  0.0  0.16  1.0
  Zn  Zn3  1  0.58  0.45  0.52  1.0

Na Hf Zn Zn
NaHfZn2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent Hf(1), four equivalent Zn(1), and four equivalent Zn(2) atoms. There is one shorter (2.73 Å) and one longer (3.13 Å) Na(1)-Hf(1) bond length. There are a spread of Na(1)-Zn(1) bond distances ranging from 2.71-3.36 Å. There are a spread of Na(1)-Zn(2) bond distances ranging from 2.70-3.15 Å. Hf(1) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Hf(1), four equivalent Zn(1), and four equivalent Zn(2) atoms. Both Hf(1)-Hf(1) bond lengths are 3.16 Å. There are a spread of Hf(1)-Zn(1) bond distances ranging from 2.78-3.08 Å. There are a spread of Hf(1)-Zn(2) bond distances ranging from 2.69-3.34 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 9-coordinate geometry to four equivalent Na(1), four equivalent Hf(1), and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 2.81 Å. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to four equivalent Na(1), four equivalent Hf(1), and one Zn(1) atom.