data_NbGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   20.47
_cell_angle_beta   20.47
_cell_angle_gamma   20.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Sn
_chemical_formula_sum   'Nb1 Ga2 Sn1'
_cell_volume   78.55
_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
  Nb  Nb2  1  0.0  0.0  0.37  1.0
  Ga  Ga0  1  0.0  0.0  0.32  1.0
  Ga  Ga1  1  0.0  0.0  0.61  1.0
  Sn  Sn3  1  0.0  0.0  0.92  1.0

data_NbGa2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   3.21
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbGa2Sn
_chemical_formula_sum   'Nb2 Ga4 Sn2'
_cell_volume   157.11
_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
  Nb  Nb0  2  0.0  0.0  0.63  1.0
  Ga  Ga1  2  0.0  0.0  0.39  1.0
  Ga  Ga2  2  0.0  0.0  0.68  1.0
  Sn  Sn3  2  0.0  0.0  0.08  1.0

Nb Ga Ga Sn
Nb Ga Ga Sn 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
NbGa2Sn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbGa2Sn clusters. Nb(1) is bonded in a single-bond geometry to one Ga(1) and one Ga(2) atom. The Nb(1)-Ga(1) bond length is 0.49 Å. The Nb(1)-Ga(2) bond length is 2.15 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Ga site, Ga(2) is bonded in a distorted linear geometry to one Nb(1) and one Sn(1) atom. The Ga(2)-Sn(1) bond length is 2.75 Å. Sn(1) is bonded in a distorted single-bond geometry to one Ga(2) atom.