data_NaGa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa2Bi
_chemical_formula_sum   'Na1 Ga2 Bi1'
_cell_volume   102.59
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.98  0.98  0.77  1.0
  Ga  Ga2  1  0.98  0.98  0.8  1.0
  Bi  Bi0  1  0.0  0.0  0.28  1.0

data_NaGa2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGa2Bi
_chemical_formula_sum   'Na2 Ga4 Bi2'
_cell_volume   205.18
_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
  Ga  Ga1  2  0.48  0.5  0.77  1.0
  Ga  Ga2  2  0.48  0.5  0.8  1.0
  Bi  Bi3  2  0.0  0.0  0.28  1.0

Na Ga Ga Bi
NaGa2Bi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaGa2Bi clusters. Na(1) is bonded in a linear geometry to one Ga(2) and one Bi(1) atom. The Na(1)-Ga(2) bond length is 1.30 Å. The Na(1)-Bi(1) bond length is 1.87 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one Ga(2) atom. The Ga(1)-Ga(2) bond length is 0.23 Å. In the second Ga site, Ga(2) is bonded in a linear geometry to one Na(1) and one Ga(1) atom. Bi(1) is bonded in a single-bond geometry to one Na(1) atom.