data_NbGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   5.01
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Sn
_chemical_formula_sum   'Nb1 Ga2 Sn1'
_cell_volume   77.12
_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  0.52  0.5  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.52  0.0  0.53  1.0
  Sn  Sn3  1  0.0  0.5  0.53  1.0

data_NbGa2Sn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.04
_cell_length_b   5.01
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbGa2Sn
_chemical_formula_sum   'Nb1 Ga2 Sn1'
_cell_volume   77.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Nb0  1  0.52  0.5  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.52  0.0  0.53  1.0
  Sn  Sn3  1  0.0  0.5  0.53  1.0

Nb Ga Ga Sn
NbGa2Sn crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 8-coordinate geometry to two equivalent Ga(2), four equivalent Ga(1), and four equivalent Sn(1) atoms. There is one shorter (3.43 Å) and one longer (3.47 Å) Nb(1)-Ga(2) bond length. There are a spread of Nb(1)-Ga(1) bond distances ranging from 2.88-2.98 Å. There are a spread of Nb(1)-Sn(1) bond distances ranging from 2.79-3.12 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to four equivalent Nb(1), two equivalent Ga(1), and four equivalent Ga(2) atoms. Both Ga(1)-Ga(1) bond lengths are 3.04 Å. There are a spread of Ga(1)-Ga(2) bond distances ranging from 2.79-3.12 Å. In the second Ga site, Ga(2) is bonded in a 12-coordinate geometry to two equivalent Nb(1), two equivalent Ga(2), four equivalent Ga(1), and four equivalent Sn(1) atoms. Both Ga(2)-Ga(2) bond lengths are 3.04 Å. There are a spread of Ga(2)-Sn(1) bond distances ranging from 2.88-2.98 Å. Sn(1) is bonded in a 8-coordinate geometry to four equivalent Nb(1) and four equivalent Ga(2) atoms.