data_Ba2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   4.0
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   93.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NiAg
_chemical_formula_sum   'Ba2 Ni1 Ag1'
_cell_volume   123.81
_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  0.68  1.0  0.13  1.0
  Ba  Ba2  1  0.73  1.0  0.82  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.76  0.0  0.97  1.0

data_Ba2NiAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.9
_cell_length_b   4.0
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   93.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2NiAg
_chemical_formula_sum   'Ba2 Ni1 Ag1'
_cell_volume   123.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Ba0  1  0.68  0.0  0.13  1.0
  Ba  Ba1  1  0.73  0.0  0.82  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.76  0.0  0.97  1.0

Ba Ba Ni Ag
Ba Ba Ni Ag 0 3 o + - 1 3 o + o 2 3 - o - 
Ba2NiAg crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Ba2NiAg cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Ag(1) atom. The Ba(1)-Ag(1) bond length is 1.29 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Ag(1) atom. The Ba(2)-Ag(1) bond length is 1.23 Å. Ni(1) is bonded in a distorted single-bond geometry to one Ag(1) atom. The Ni(1)-Ag(1) bond length is 0.96 Å. Ag(1) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Ni(1) atom.