data_HfGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaBi2
_chemical_formula_sum   'Hf1 Ga1 Bi2'
_cell_volume   100.3
_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  Hf3  1  0.18  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.59  0.93  0.9  1.0
  Bi  Bi1  1  0.59  0.07  0.9  1.0

data_HfGaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   105.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaBi2
_chemical_formula_sum   'Hf1 Ga1 Bi2'
_cell_volume   100.3
_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  Hf0  1  0.0  0.18  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.9  0.59  0.07  1.0
  Bi  Bi3  1  0.9  0.59  0.93  1.0

Hf Ga Bi Bi
Hf Ga Bi Bi 0 1 o o o 2 3 o + o 
HfGaBi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfGaBi2 cluster. Hf(1) is bonded in a 1-coordinate geometry to one Ga(1) and one Bi(2) atom. The Hf(1)-Ga(1) bond length is 0.93 Å. The Hf(1)-Bi(2) bond length is 2.11 Å. Ga(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Bi(2) atom. The Bi(1)-Bi(2) bond length is 0.77 Å. In the second Bi site, Bi(2) is bonded in a distorted L-shaped geometry to one Hf(1) and one Bi(1) atom.