data_BaNbAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.8
_cell_length_b   10.8
_cell_length_c   10.8
_cell_angle_alpha   16.87
_cell_angle_beta   16.87
_cell_angle_gamma   16.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbAg2
_chemical_formula_sum   'Ba1 Nb1 Ag2'
_cell_volume   92.44
_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
  Ba  Ba2  1  0.0  0.0  0.96  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.33  1.0
  Ag  Ag1  1  0.0  0.0  0.59  1.0

data_BaNbAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   10.8
_cell_angle_alpha   90.0
_cell_angle_beta   99.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNbAg2
_chemical_formula_sum   'Ba2 Nb2 Ag4'
_cell_volume   184.89
_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
  Ba  Ba0  2  -0.0  0.0  0.04  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  -0.0  0.0  0.67  1.0
  Ag  Ag3  2  -0.0  0.0  0.41  1.0

Ba Nb Ag Ag
Ba Nb Ag Ag 0 1 o o + 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
BaNbAg2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a single-bond geometry to one Nb(1) and one Ag(2) atom. The Ba(1)-Nb(1) bond length is 0.40 Å. The Ba(1)-Ag(2) bond length is 4.02 Å. Nb(1) is bonded in a single-bond geometry to one Ba(1) and one Ag(1) atom. The Nb(1)-Ag(1) bond length is 3.61 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Nb(1), one Ag(2), and six equivalent Ag(1) atoms to form AgNbAg7 hexagonal bipyramids that share corners with six equivalent Ag(1)NbAg7 hexagonal bipyramids, edges with six equivalent Ag(2)BaAg7 hexagonal bipyramids, and edges with twelve equivalent Ag(1)NbAg7 hexagonal bipyramids. The Ag(1)-Ag(2) bond length is 2.76 Å. All Ag(1)-Ag(1) bond lengths are 3.17 Å. In the second Ag site, Ag(2) is bonded to one Ba(1), one Ag(1), and six equivalent Ag(2) atoms to form AgBaAg7 hexagonal bipyramids that share corners with six equivalent Ag(2)BaAg7 hexagonal bipyramids, edges with six equivalent Ag(1)NbAg7 hexagonal bipyramids, and edges with twelve equivalent Ag(2)BaAg7 hexagonal bipyramids. All Ag(2)-Ag(2) bond lengths are 3.17 Å.