data_AlAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   131.88
_cell_angle_beta   131.88
_cell_angle_gamma   70.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgAs2
_chemical_formula_sum   'Al1 Ag1 As2'
_cell_volume   74.77
_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
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.11  0.11  1.0
  As  As2  1  0.11  0.0  0.11  1.0
  As  As3  1  0.0  0.0  0.22  1.0

data_AlAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.16
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgAs2
_chemical_formula_sum   'Al1 Ag1 As2'
_cell_volume   74.77
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.11  0.0  1.0
  As  As2  1  0.11  0.0  0.0  1.0
  As  As3  1  0.22  0.22  0.22  1.0

Al Ag As As
Al Ag As As 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 
AgAlAs2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one AgAlAs2 cluster. Ag(1) is bonded in a distorted single-bond geometry to one Al(1) and one As(2) atom. The Ag(1)-Al(1) bond length is 0.45 Å. The Ag(1)-As(2) bond length is 1.01 Å. Al(1) is bonded in an L-shaped geometry to one Ag(1), one As(1), and one As(2) atom. The Al(1)-As(1) bond length is 0.45 Å. The Al(1)-As(2) bond length is 1.13 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Al(1) and one As(2) atom. The As(1)-As(2) bond length is 1.01 Å. In the second As site, As(2) is bonded in a 3-coordinate geometry to one Ag(1), one Al(1), and one As(1) atom.