data_ScNb2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28
_cell_length_b   10.28
_cell_length_c   10.28
_cell_angle_alpha   16.54
_cell_angle_beta   16.54
_cell_angle_gamma   16.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb2Ag
_chemical_formula_sum   'Sc1 Nb2 Ag1'
_cell_volume   76.71
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.57  1.0
  Nb  Nb2  1  0.0  0.0  0.84  1.0
  Ag  Ag0  1  0.0  0.0  0.2  1.0

data_ScNb2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   2.96
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScNb2Ag
_chemical_formula_sum   'Sc2 Nb4 Ag2'
_cell_volume   153.41
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.16  1.0
  Nb  Nb2  2  0.0  0.0  0.43  1.0
  Ag  Ag3  2  0.0  0.0  0.8  1.0

Sc Nb Nb Ag
ScNb2Ag crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a linear geometry to one Nb(2) and one Ag(1) atom. The Sc(1)-Nb(2) bond length is 1.64 Å. The Sc(1)-Ag(1) bond length is 2.09 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one Nb(2), six equivalent Nb(1), and one Ag(1) atom to form a mixture of corner and edge-sharing NbNb7Ag hexagonal bipyramids. The Nb(1)-Nb(2) bond length is 2.81 Å. All Nb(1)-Nb(1) bond lengths are 2.96 Å. The Nb(1)-Ag(1) bond length is 3.74 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Sc(1) and one Nb(1) atom. Ag(1) is bonded in a single-bond geometry to one Sc(1) and one Nb(1) atom.