data_AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.5
_cell_length_c   6.45
_cell_angle_alpha   78.88
_cell_angle_beta   78.23
_cell_angle_gamma   75.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al5 Ag5'
_cell_volume   170.18
_cell_formula_units_Z   5
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
  Al  Al5  1  0.0  0.0  0.0  1.0
  Al  Al6  1  0.22  0.1  0.75  1.0
  Al  Al7  1  0.71  0.87  0.0  1.0
  Al  Al8  1  0.15  0.38  0.24  1.0
  Al  Al9  1  0.65  0.15  0.5  1.0
  Ag  Ag0  1  0.94  0.73  0.71  1.0
  Ag  Ag1  1  0.38  0.53  0.99  1.0
  Ag  Ag2  1  0.48  0.72  0.25  1.0
  Ag  Ag3  1  0.93  0.52  0.54  1.0
  Ag  Ag4  1  0.71  0.66  0.0  1.0

data_AlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.5
_cell_length_c   6.45
_cell_angle_alpha   78.88
_cell_angle_beta   78.23
_cell_angle_gamma   75.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al5 Ag5'
_cell_volume   170.18
_cell_formula_units_Z   5
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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.15  0.38  0.24  1.0
  Al  Al2  1  0.22  0.1  0.75  1.0
  Al  Al3  1  0.65  0.15  0.5  1.0
  Al  Al4  1  0.71  0.87  0.0  1.0
  Ag  Ag5  1  0.38  0.53  0.99  1.0
  Ag  Ag6  1  0.48  0.72  0.25  1.0
  Ag  Ag7  1  0.71  0.66  0.0  1.0
  Ag  Ag8  1  0.93  0.52  0.54  1.0
  Ag  Ag9  1  0.94  0.73  0.71  1.0

Al Al Al Al Al Ag Ag Ag Ag Ag
AgAl crystallizes in the triclinic P1 space group. There are five inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 5-coordinate geometry to one Ag(4), one Ag(5), one Al(1), one Al(2), one Al(3), and one Al(5) atom. The Ag(1)-Ag(4) bond length is 1.76 Å. The Ag(1)-Ag(5) bond length is 2.03 Å. The Ag(1)-Al(1) bond length is 2.72 Å. The Ag(1)-Al(2) bond length is 2.86 Å. The Ag(1)-Al(3) bond length is 2.19 Å. The Ag(1)-Al(5) bond length is 2.69 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Al(1) and one Al(4) atom. The Ag(2)-Al(1) bond length is 2.80 Å. The Ag(2)-Al(4) bond length is 1.97 Å. In the third Ag site, Ag(3) is bonded in a 2-coordinate geometry to one Ag(5), one Al(1), one Al(3), and one Al(5) atom. The Ag(3)-Ag(5) bond length is 1.83 Å. The Ag(3)-Al(1) bond length is 3.14 Å. The Ag(3)-Al(3) bond length is 1.97 Å. The Ag(3)-Al(5) bond length is 3.20 Å. In the fourth Ag site, Ag(4) is bonded in a 4-coordinate geometry to one Ag(1), one Al(2), one Al(4), and one Al(5) atom. The Ag(4)-Al(2) bond length is 2.69 Å. The Ag(4)-Al(4) bond length is 2.19 Å. The Ag(4)-Al(5) bond length is 2.86 Å. In the fifth Ag site, Ag(5) is bonded in a single-bond geometry to one Ag(1), one Ag(3), and one Al(3) atom. The Ag(5)-Al(3) bond length is 1.18 Å. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), one Al(2), and one Al(3) atom. The Al(1)-Al(2) bond length is 1.87 Å. The Al(1)-Al(3) bond length is 1.79 Å. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one Ag(1), one Ag(4), one Al(1), and one Al(5) atom. The Al(2)-Al(5) bond length is 2.47 Å. In the third Al site, Al(3) is bonded in a single-bond geometry to one Ag(1), one Ag(3), one Ag(5), and one Al(1) atom. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to one Ag(2) and one Ag(4) atom. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to one Ag(1), one Ag(3), one Ag(4), and one Al(2) atom.