data_BaAlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.81
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlAg2
_chemical_formula_sum   'Ba1 Al1 Ag2'
_cell_volume   117.01
_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  Ba3  1  0.21  0.41  0.17  1.0
  Al  Al2  1  0.97  0.0  0.12  1.0
  Ag  Ag0  1  0.11  0.0  0.6  1.0
  Ag  Ag1  1  0.79  0.41  0.49  1.0

data_BaAlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.81
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlAg2
_chemical_formula_sum   'Ba1 Al1 Ag2'
_cell_volume   117.01
_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  0.21  0.41  0.17  1.0
  Al  Al1  1  0.97  0.0  0.12  1.0
  Ag  Ag2  1  0.11  0.0  0.6  1.0
  Ag  Ag3  1  0.79  0.41  0.49  1.0

Ba Al Ag Ag
Ba Al Ag Ag 0 1 - o o 0 3 o o o 0 3 - o o 1 2 + o o 2 3 - o o 
BaAg2Al crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent Ag(2) and two equivalent Al(1) atoms. There is one shorter (2.79 Å) and one longer (2.86 Å) Ba(1)-Ag(2) bond length. There is one shorter (2.21 Å) and one longer (3.04 Å) Ba(1)-Al(1) bond length. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one Ag(2) and two equivalent Al(1) atoms. The Ag(1)-Ag(2) bond length is 2.40 Å. There is one shorter (2.71 Å) and one longer (3.13 Å) Ag(1)-Al(1) bond length. In the second Ag site, Ag(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and one Ag(1) atom. Al(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and two equivalent Ag(1) atoms.