data_NbFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.01
_cell_angle_alpha   97.49
_cell_angle_beta   97.49
_cell_angle_gamma   33.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Ag
_chemical_formula_sum   'Nb1 Fe2 Ag1'
_cell_volume   59.97
_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
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.57  0.0  0.21  1.0
  Fe  Fe2  1  0.69  0.0  0.75  1.0
  Ag  Ag0  1  0.13  0.0  0.48  1.0

data_NbFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.67
_cell_length_c   5.01
_cell_angle_alpha   97.49
_cell_angle_beta   90.0
_cell_angle_gamma   106.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Ag
_chemical_formula_sum   'Nb1 Fe2 Ag1'
_cell_volume   59.97
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.31  0.25  1.0
  Fe  Fe2  1  0.0  0.43  0.79  1.0
  Ag  Ag3  1  0.0  0.87  0.52  1.0

Nb Fe Fe Ag
Nb Fe Fe Ag 0 2 - o - 0 1 o o o 0 1 - o o 0 3 o o o 0 3 o o - 1 3 o o o 1 3 + o o 1 1 + - o 1 2 o o - 1 2 o o o 2 3 + o o 2 3 o o o 3 3 + - o 
NbFe2Ag crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 1-coordinate geometry to one Fe(2), two equivalent Fe(1), and one Ag(1) atom. The Nb(1)-Fe(2) bond length is 1.79 Å. There is one shorter (2.41 Å) and one longer (2.72 Å) Nb(1)-Fe(1) bond length. The Nb(1)-Ag(1) bond length is 2.42 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Ag(1) atoms. Both Fe(1)-Fe(1) bond lengths are 2.70 Å. There is one shorter (2.45 Å) and one longer (2.69 Å) Fe(1)-Fe(2) bond length. There is one shorter (2.60 Å) and one longer (2.78 Å) Fe(1)-Ag(1) bond length. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Nb(1) and two equivalent Fe(1) atoms. Ag(1) is bonded in a 1-coordinate geometry to one Nb(1) and two equivalent Fe(1) atoms.