data_HfGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   131.66
_cell_angle_beta   131.66
_cell_angle_gamma   70.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaSb2
_chemical_formula_sum   'Hf1 Ga1 Sb2'
_cell_volume   90.71
_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
  Hf  Hf1  1  0.0  0.0  0.48  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.25  0.24  1.0
  Sb  Sb3  1  0.25  0.0  0.24  1.0

data_HfGaSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   125.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfGaSb2
_chemical_formula_sum   'Hf2 Ga2 Sb4'
_cell_volume   181.43
_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
  Hf  Hf0  2  0.02  0.5  0.52  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.39  0.38  0.01  1.0

Hf Ga Sb Sb
HfGaSb2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 5-coordinate geometry to one Ga(1) and four equivalent Sb(1) atoms. The Hf(1)-Ga(1) bond length is 2.86 Å. There are two shorter (2.46 Å) and two longer (3.39 Å) Hf(1)-Sb(1) bond lengths. Ga(1) is bonded in a distorted L-shaped geometry to one Hf(1) and two equivalent Sb(1) atoms. Both Ga(1)-Sb(1) bond lengths are 1.10 Å. Sb(1) is bonded in a distorted single-bond geometry to two equivalent Hf(1) and one Ga(1) atom.