data_NbSnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   142.79
_cell_angle_beta   142.79
_cell_angle_gamma   53.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnAs
_chemical_formula_sum   'Nb1 Sn1 As1'
_cell_volume   58.17
_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  Nb1  1  0.0  0.0  0.46  1.0
  Sn  Sn2  1  0.0  0.0  0.49  1.0
  As  As0  1  0.0  0.0  0.43  1.0

data_NbSnAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   116.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbSnAs
_chemical_formula_sum   'Nb2 Sn2 As2'
_cell_volume   116.33
_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  0.54  1.0
  Sn  Sn1  2  0.0  0.0  0.51  1.0
  As  As2  2  0.0  0.0  0.57  1.0

Nb Sn As
Nb Sn As 0 2 o o o 0 1 o o o 
NbSnAs is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbSnAs clusters. Nb(1) is bonded in a linear geometry to one Sn(1) and one As(1) atom. The Nb(1)-Sn(1) bond length is 0.13 Å. The Nb(1)-As(1) bond length is 0.15 Å. Sn(1) is bonded in a single-bond geometry to one Nb(1) atom. As(1) is bonded in a single-bond geometry to one Nb(1) atom.