data_NbAg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2Se
_chemical_formula_sum   'Nb1 Ag2 Se1'
_cell_volume   74.7
_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  Nb2  1  0.0  0.0  0.87  1.0
  Ag  Ag0  1  0.68  0.0  0.51  1.0
  Ag  Ag1  1  0.68  0.0  0.24  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_NbAg2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2Se
_chemical_formula_sum   'Nb1 Ag2 Se1'
_cell_volume   74.7
_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  0.87  1.0
  Ag  Ag1  1  0.68  0.0  0.24  1.0
  Ag  Ag2  1  0.68  0.0  0.51  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Nb Ag Ag Se
NbAg2Se crystallizes in the triclinic P1 space group. Nb(1) is bonded in a single-bond geometry to one Ag(1) and one Se(1) atom. The Nb(1)-Ag(1) bond length is 3.68 Å. The Nb(1)-Se(1) bond length is 1.23 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to one Nb(1), one Ag(2), and four equivalent Ag(1) atoms. The Ag(1)-Ag(2) bond length is 2.60 Å. All Ag(1)-Ag(1) bond lengths are 2.83 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Ag(1) and one Se(1) atom. The Ag(2)-Se(1) bond length is 2.51 Å. Se(1) is bonded in a single-bond geometry to one Nb(1) and one Ag(2) atom.