data_ScTa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   5.09
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Ag
_chemical_formula_sum   'Sc1 Ta2 Ag1'
_cell_volume   76.26
_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  Sc1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.86  0.55  0.28  1.0
  Ta  Ta3  1  0.18  0.55  0.92  1.0
  Ag  Ag0  1  0.02  0.0  0.6  1.0

data_ScTa2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.09
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Ag
_chemical_formula_sum   'Sc1 Ta2 Ag1'
_cell_volume   76.26
_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  Sc0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.18  0.55  0.92  1.0
  Ta  Ta2  1  0.86  0.55  0.28  1.0
  Ag  Ag3  1  0.02  0.0  0.6  1.0

Sc Ta Ta Ag
Sc Ta Ta Ag 0 2 o - - 0 2 o o - 0 3 o o - 0 1 - - o 1 2 o o - 1 2 + o - 1 1 + o o 1 3 + + o 2 3 o + o 2 2 + o o 
ScTa2Ag crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 1-coordinate geometry to one Ta(1), one Ta(2), and one Ag(1) atom. The Sc(1)-Ta(1) bond length is 2.82 Å. The Sc(1)-Ta(2) bond length is 2.42 Å. The Sc(1)-Ag(1) bond length is 2.11 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to one Sc(1), two equivalent Ta(2), and two equivalent Ag(1) atoms. There is one shorter (2.27 Å) and one longer (2.52 Å) Ta(1)-Ta(2) bond length. There is one shorter (2.84 Å) and one longer (3.25 Å) Ta(1)-Ag(1) bond length. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to one Sc(1) and two equivalent Ta(1) atoms. Ag(1) is bonded in a distorted single-bond geometry to one Sc(1) and two equivalent Ta(1) atoms.