data_TaNb2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   10.48
_cell_length_c   10.48
_cell_angle_alpha   15.69
_cell_angle_beta   15.69
_cell_angle_gamma   15.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Ag
_chemical_formula_sum   'Ta1 Nb2 Ag1'
_cell_volume   73.34
_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
  Ta  Ta3  1  0.0  0.0  0.56  1.0
  Nb  Nb1  1  0.0  0.0  1.0  1.0
  Nb  Nb2  1  0.0  0.0  0.29  1.0
  Ag  Ag0  1  0.0  0.0  0.75  1.0

data_TaNb2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   99.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaNb2Ag
_chemical_formula_sum   'Ta2 Nb4 Ag2'
_cell_volume   146.68
_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
  Ta  Ta0  2  0.0  0.0  0.44  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Nb  Nb2  2  0.0  0.0  0.71  1.0
  Ag  Ag3  2  0.0  0.0  0.25  1.0

Ta Nb Nb Ag
TaNb2Ag crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a distorted single-bond geometry to one Nb(2) and one Ag(1) atom. The Ta(1)-Nb(2) bond length is 2.88 Å. The Ta(1)-Ag(1) bond length is 1.98 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted single-bond geometry to one Nb(2) and one Ag(1) atom. The Nb(1)-Nb(2) bond length is 3.03 Å. The Nb(1)-Ag(1) bond length is 2.59 Å. In the second Nb site, Nb(2) is bonded to one Ta(1), one Nb(1), and six equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing NbTaNb7 hexagonal bipyramids. All Nb(2)-Nb(2) bond lengths are 2.86 Å. Ag(1) is bonded in a distorted linear geometry to one Ta(1) and one Nb(1) atom.