data_Nb2ReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.41
_cell_angle_alpha   94.78
_cell_angle_beta   94.78
_cell_angle_gamma   30.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReAg
_chemical_formula_sum   'Nb2 Re1 Ag1'
_cell_volume   68.73
_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  Nb1  1  0.08  0.0  0.01  1.0
  Nb  Nb2  1  0.09  0.0  0.38  1.0
  Re  Re3  1  0.58  0.0  0.69  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Nb2ReAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.99
_cell_length_c   5.41
_cell_angle_alpha   94.78
_cell_angle_beta   90.0
_cell_angle_gamma   105.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReAg
_chemical_formula_sum   'Nb2 Re1 Ag1'
_cell_volume   68.73
_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  0.91  0.62  1.0
  Nb  Nb1  1  0.0  0.92  0.99  1.0
  Re  Re2  1  0.0  0.42  0.31  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Nb Nb Re Ag
Nb2ReAg crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Nb(2), one Re(1), and one Ag(1) atom. The Nb(1)-Nb(2) bond length is 2.02 Å. The Nb(1)-Re(1) bond length is 3.16 Å. The Nb(1)-Ag(1) bond length is 0.37 Å. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one Nb(1), two equivalent Nb(2), two equivalent Re(1), and one Ag(1) atom. Both Nb(2)-Nb(2) bond lengths are 2.65 Å. There is one shorter (2.87 Å) and one longer (3.16 Å) Nb(2)-Re(1) bond length. The Nb(2)-Ag(1) bond length is 2.07 Å. Re(1) is bonded in a 6-coordinate geometry to one Nb(1), two equivalent Nb(2), two equivalent Re(1), and one Ag(1) atom. Both Re(1)-Re(1) bond lengths are 2.65 Å. The Re(1)-Ag(1) bond length is 2.55 Å. Ag(1) is bonded in a single-bond geometry to one Nb(1), one Nb(2), and one Re(1) atom.