data_NbSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.4
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   92.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnAs2
_chemical_formula_sum   'Nb1 Sn1 As2'
_cell_volume   79.75
_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  0.0  1.0
  Sn  Sn3  1  0.84  0.0  0.47  1.0
  As  As0  1  0.37  0.7  0.59  1.0
  As  As1  1  0.68  0.7  0.36  1.0

data_NbSnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.4
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   92.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnAs2
_chemical_formula_sum   'Nb1 Sn1 As2'
_cell_volume   79.75
_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  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.84  0.0  0.47  1.0
  As  As2  1  0.37  0.7  0.59  1.0
  As  As3  1  0.68  0.7  0.36  1.0

Nb Sn As As
NbSnAs2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 2-coordinate geometry to one As(1) and one As(2) atom. The Nb(1)-As(1) bond length is 3.32 Å. The Nb(1)-As(2) bond length is 2.94 Å. Sn(1) is bonded in a 1-coordinate geometry to one As(2) and four equivalent As(1) atoms. The Sn(1)-As(2) bond length is 1.40 Å. There are a spread of Sn(1)-As(1) bond distances ranging from 2.08-3.07 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Nb(1), four equivalent Sn(1), and one As(2) atom. The As(1)-As(2) bond length is 1.98 Å. In the second As site, As(2) is bonded in a distorted single-bond geometry to one Nb(1), one Sn(1), and one As(1) atom.