data_NbCoAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoAg2
_chemical_formula_sum   'Nb1 Co1 Ag2'
_cell_volume   64.54
_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  0.27  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.38  0.38  0.56  1.0
  Ag  Ag1  1  0.38  0.38  0.97  1.0

data_NbCoAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCoAg2
_chemical_formula_sum   'Nb2 Co2 Ag4'
_cell_volume   129.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.38  0.0  0.56  1.0
  Ag  Ag3  2  0.38  0.0  0.97  1.0

Nb Co Ag Ag
Nb Co Ag Ag 0 0 + o o 0 0 o + o 0 1 o o o 0 3 o o - 0 2 o o o 0 2 o - o 0 2 - o o 1 3 o o - 2 2 + o o 2 2 o + o 
NbCoAg2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a distorted single-bond geometry to one Co(1) and four equivalent Ag(1) atoms. The Nb(1)-Co(1) bond length is 2.26 Å. There are a spread of Nb(1)-Ag(1) bond distances ranging from 2.92-3.51 Å. Co(1) is bonded in a 5-coordinate geometry to one Nb(1) and four equivalent Ag(2) atoms. There are a spread of Co(1)-Ag(2) bond distances ranging from 1.48-2.44 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one Ag(2), and four equivalent Ag(1) atoms. The Ag(1)-Ag(2) bond length is 3.47 Å. All Ag(1)-Ag(1) bond lengths are 2.75 Å. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to four equivalent Co(1) and one Ag(1) atom.