data_Ta2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.8
_cell_angle_alpha   91.64
_cell_angle_beta   91.64
_cell_angle_gamma   112.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiAg
_chemical_formula_sum   'Ta2 Ni1 Ag1'
_cell_volume   64.1
_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  Ta2  1  0.32  0.94  0.4  1.0
  Ta  Ta3  1  0.32  0.06  0.4  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.78  0.0  0.0  1.0

data_Ta2NiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   112.08
_cell_angle_beta   91.64
_cell_angle_gamma   91.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiAg
_chemical_formula_sum   'Ta2 Ni1 Ag1'
_cell_volume   64.1
_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  Ta0  1  0.4  0.32  0.06  1.0
  Ta  Ta1  1  0.4  0.32  0.94  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.78  0.0  1.0

Ta Ta Ni Ag
Ta Ta Ni Ag 0 1 o + o 2 3 - o o 
Ta2NiAg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2NiAg cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Ta(2) atom. The Ta(1)-Ta(2) bond length is 0.63 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Ta(1) and one Ni(1) atom. The Ta(2)-Ni(1) bond length is 1.83 Å. Ni(1) is bonded in a 2-coordinate geometry to one Ta(2) and one Ag(1) atom. The Ni(1)-Ag(1) bond length is 1.10 Å. Ag(1) is bonded in a 1-coordinate geometry to one Ni(1) atom.