data_Ta3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.34
_cell_length_b   10.34
_cell_length_c   10.34
_cell_angle_alpha   16.04
_cell_angle_beta   16.04
_cell_angle_gamma   16.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ag
_chemical_formula_sum   'Ta3 Ag1'
_cell_volume   73.65
_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  Ta1  1  0.0  0.0  0.95  1.0
  Ta  Ta2  1  0.0  0.0  0.31  1.0
  Ta  Ta3  1  0.0  0.0  0.68  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Ta3Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   99.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta3Ag
_chemical_formula_sum   'Ta6 Ag2'
_cell_volume   147.31
_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  0.05  1.0
  Ta  Ta1  2  0.0  0.0  0.32  1.0
  Ta  Ta2  2  0.0  0.0  0.69  1.0
  Ag  Ag3  2  0.0  0.0  0.0  1.0

Ta Ta Ta Ag
Ta3Ag crystallizes in the monoclinic Cm space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Ta(3) and one Ag(1) atom. The Ta(1)-Ta(3) bond length is 2.81 Å. The Ta(1)-Ag(1) bond length is 0.51 Å. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to one Ta(3), six equivalent Ta(2), and one Ag(1) atom. The Ta(2)-Ta(3) bond length is 3.77 Å. All Ta(2)-Ta(2) bond lengths are 2.89 Å. The Ta(2)-Ag(1) bond length is 3.26 Å. In the third Ta site, Ta(3) is bonded in a 8-coordinate geometry to one Ta(1), one Ta(2), and six equivalent Ta(3) atoms. All Ta(3)-Ta(3) bond lengths are 2.89 Å. Ag(1) is bonded in a single-bond geometry to one Ta(1) and one Ta(2) atom.