data_Sr2HfGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.28
_cell_length_b   11.28
_cell_length_c   11.28
_cell_angle_alpha   18.32
_cell_angle_beta   18.32
_cell_angle_gamma   18.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfGa
_chemical_formula_sum   'Sr2 Hf1 Ga1'
_cell_volume   123.86
_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
  Sr  Sr2  1  0.0  0.0  0.52  1.0
  Sr  Sr3  1  0.0  0.0  0.75  1.0
  Hf  Hf1  1  0.0  0.0  0.63  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Sr2HfGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   3.59
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2HfGa
_chemical_formula_sum   'Sr4 Hf2 Ga2'
_cell_volume   247.71
_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
  Sr  Sr0  2  -0.0  0.0  0.48  1.0
  Sr  Sr1  2  -0.0  0.0  0.25  1.0
  Hf  Hf2  2  0.0  0.0  0.37  1.0
  Ga  Ga3  2  0.0  0.0  0.0  1.0

Sr Sr Hf Ga
Sr Sr Hf Ga 0 2 o o o 1 2 o o o 1 3 o o + 3 3 o + - 3 3 + - o 3 3 + o - 
Sr2HfGa is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sr2HfGa clusters. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Hf(1) atom. The Sr(1)-Hf(1) bond length is 1.32 Å. In the second Sr site, Sr(2) is bonded in a distorted linear geometry to one Hf(1) and one Ga(1) atom. The Sr(2)-Hf(1) bond length is 1.32 Å. The Sr(2)-Ga(1) bond length is 2.82 Å. Hf(1) is bonded in a linear geometry to one Sr(1) and one Sr(2) atom. Ga(1) is bonded in a single-bond geometry to one Sr(2) atom.