data_Ba2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NiAg
_chemical_formula_sum   'Ba2 Ni1 Ag1'
_cell_volume   145.19
_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  Ba1  1  0.0  0.0  0.85  1.0
  Ba  Ba2  1  0.34  0.34  0.44  1.0
  Ni  Ni3  1  0.0  0.0  0.5  1.0
  Ag  Ag0  1  0.34  0.34  0.72  1.0

data_Ba2NiAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2NiAg
_chemical_formula_sum   'Ba4 Ni2 Ag2'
_cell_volume   290.38
_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  0.85  1.0
  Ba  Ba1  2  0.34  0.0  0.44  1.0
  Ni  Ni2  2  0.0  0.0  0.5  1.0
  Ag  Ag3  2  0.34  0.0  0.72  1.0

Ba Ba Ni Ag
Ba2NiAg crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2NiAg clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Ag(1) atom. The Ba(1)-Ni(1) bond length is 2.26 Å. The Ba(1)-Ag(1) bond length is 2.44 Å. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to one Ni(1) and one Ag(1) atom. The Ba(2)-Ni(1) bond length is 2.33 Å. The Ba(2)-Ag(1) bond length is 1.84 Å. Ni(1) is bonded in a distorted water-like geometry to one Ba(1) and one Ba(2) atom. Ag(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Ba(2) atom.