data_GaNiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   124.94
_cell_angle_beta   124.94
_cell_angle_gamma   81.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiBi2
_chemical_formula_sum   'Ga1 Ni1 Bi2'
_cell_volume   89.59
_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
  Ga  Ga2  1  0.0  0.0  0.92  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.39  0.0  0.96  1.0
  Bi  Bi1  1  0.0  0.39  0.96  1.0

data_GaNiBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   130.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaNiBi2
_chemical_formula_sum   'Ga2 Ni2 Bi4'
_cell_volume   179.17
_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
  Ga  Ga0  2  0.08  0.0  0.08  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  4  0.24  0.2  0.43  1.0

Ga Ni Bi Bi
NiGaBi2 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NiGaBi2 clusters. Ni(1) is bonded in a single-bond geometry to one Ga(1) atom. The Ni(1)-Ga(1) bond length is 0.44 Å. Ga(1) is bonded in a distorted single-bond geometry to one Ni(1) and two equivalent Bi(1) atoms. Both Ga(1)-Bi(1) bond lengths are 1.91 Å. Bi(1) is bonded in a distorted single-bond geometry to one Ga(1) atom.