data_TaAg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Sb
_chemical_formula_sum   'Ta1 Ag2 Sb1'
_cell_volume   78.96
_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  0.78  0.78  0.59  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0
  Ag  Ag1  1  0.78  0.78  0.37  1.0
  Sb  Sb2  1  0.0  0.0  0.29  1.0

data_TaAg2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaAg2Sb
_chemical_formula_sum   'Ta2 Ag4 Sb2'
_cell_volume   157.92
_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  0.28  0.5  0.59  1.0
  Ag  Ag1  2  0.0  0.0  0.07  1.0
  Ag  Ag2  2  0.28  0.5  0.37  1.0
  Sb  Sb3  2  0.0  0.0  0.29  1.0

Ta Ag Ag Sb
Ta Ag Ag Sb 0 2 o o o 1 3 o o o 2 3 + + o 
TaAg2Sb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaAg2Sb clusters. Ta(1) is bonded in a single-bond geometry to one Ag(2) atom. The Ta(1)-Ag(2) bond length is 1.36 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Sb(1) atom. The Ag(1)-Sb(1) bond length is 1.38 Å. In the second Ag site, Ag(2) is bonded in a bent 120 degrees geometry to one Ta(1) and one Sb(1) atom. The Ag(2)-Sb(1) bond length is 1.20 Å. Sb(1) is bonded in a distorted bent 120 degrees geometry to one Ag(1) and one Ag(2) atom.