data_Nb2AgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   2.94
_cell_angle_alpha   93.06
_cell_angle_beta   93.06
_cell_angle_gamma   115.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgSn
_chemical_formula_sum   'Nb2 Ag1 Sn1'
_cell_volume   74.85
_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  0.27  0.75  0.46  1.0
  Nb  Nb2  1  0.27  0.25  0.46  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.84  0.0  0.0  1.0

data_Nb2AgSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   115.59
_cell_angle_beta   93.06
_cell_angle_gamma   93.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgSn
_chemical_formula_sum   'Nb2 Ag1 Sn1'
_cell_volume   74.85
_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  0.46  0.27  0.25  1.0
  Nb  Nb1  1  0.46  0.27  0.75  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  -0.0  0.84  0.0  1.0

Nb Nb Ag Sn
Nb Nb Ag Sn 0 2 o + o 0 2 o + + 0 1 o + o 0 1 o o o 0 3 o + o 0 3 o + + 0 0 o o + 1 2 o o o 1 2 o o + 1 3 - o o 2 3 - o o 
Nb2AgSn crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent Nb(1), two equivalent Nb(2), two equivalent Ag(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing NbNb4Ag2Sn2 hexagonal bipyramids. Both Nb(1)-Nb(1) bond lengths are 2.94 Å. There is one shorter (2.62 Å) and one longer (2.71 Å) Nb(1)-Nb(2) bond length. There is one shorter (2.73 Å) and one longer (2.85 Å) Nb(1)-Ag(1) bond length. There is one shorter (3.03 Å) and one longer (3.15 Å) Nb(1)-Sn(1) bond length. In the second Nb site, Nb(2) is bonded in a distorted L-shaped geometry to two equivalent Nb(1) and two equivalent Ag(1) atoms. There is one shorter (1.92 Å) and one longer (2.28 Å) Nb(2)-Ag(1) bond length. Ag(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), and one Sn(1) atom. The Ag(1)-Sn(1) bond length is 0.86 Å. Sn(1) is bonded in a single-bond geometry to two equivalent Nb(1) and one Ag(1) atom.