data_Ba2YAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YAg
_chemical_formula_sum   'Ba2 Y1 Ag1'
_cell_volume   156.4
_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  0.1  0.25  0.07  1.0
  Ba  Ba2  1  0.1  0.75  0.07  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.19  0.0  0.0  1.0

data_Ba2YAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   94.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YAg
_chemical_formula_sum   'Ba2 Y1 Ag1'
_cell_volume   156.4
_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  Ba0  1  0.07  0.1  0.25  1.0
  Ba  Ba1  1  0.07  0.1  0.75  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.19  0.0  1.0

Ba Ba Y Ag
Ba Ba Y Ag 0 2 o o o 0 3 o o o 1 2 o + o 1 3 o + o 2 3 o o o 
Ba2YAg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2YAg cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to one Y(1) and one Ag(1) atom. The Ba(1)-Y(1) bond length is 1.65 Å. The Ba(1)-Ag(1) bond length is 1.73 Å. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to one Y(1) and one Ag(1) atom. The Ba(2)-Y(1) bond length is 1.73 Å. The Ba(2)-Ag(1) bond length is 1.65 Å. Y(1) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Ag(1) atom. The Y(1)-Ag(1) bond length is 1.17 Å. Ag(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Y(1) atom.