data_NaHf2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   122.84
_cell_angle_beta   122.84
_cell_angle_gamma   85.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Ga
_chemical_formula_sum   'Na1 Hf2 Ga1'
_cell_volume   79.08
_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  Na3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.34  0.8  1.0
  Hf  Hf2  1  0.34  0.0  0.8  1.0
  Ga  Ga0  1  0.0  0.0  0.6  1.0

data_NaHf2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   132.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHf2Ga
_chemical_formula_sum   'Na2 Hf4 Ga2'
_cell_volume   158.16
_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  0.0  1.0
  Hf  Hf1  4  0.37  0.17  0.54  1.0
  Ga  Ga2  2  0.4  0.0  0.4  1.0

Na Hf Hf Ga
Na Hf Hf Ga 0 1 o o - 0 3 o o - 0 2 o o - 1 3 o o o 2 3 o o o 
NaHf2Ga is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaHf2Ga clusters. Na(1) is bonded in a distorted single-bond geometry to one Ga(1) atom. The Na(1)-Ga(1) bond length is 1.93 Å. Hf(1) is bonded in a single-bond geometry to one Ga(1) atom. The Hf(1)-Ga(1) bond length is 1.41 Å. Ga(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Hf(1) atoms.