data_Si2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.21
_cell_angle_alpha   114.19
_cell_angle_beta   114.19
_cell_angle_gamma   28.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgAs
_chemical_formula_sum   'Si2 Ag1 As1'
_cell_volume   71.08
_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
  Si  Si2  1  0.5  0.0  0.53  1.0
  Si  Si3  1  0.99  0.0  0.8  1.0
  Ag  Ag0  1  0.55  0.0  0.34  1.0
  As  As1  1  0.68  0.0  0.13  1.0

data_Si2AgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.21
_cell_length_c   5.62
_cell_angle_alpha   114.19
_cell_angle_beta   104.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgAs
_chemical_formula_sum   'Si2 Ag1 As1'
_cell_volume   71.08
_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
  Si  Si0  1  0.0  0.53  0.5  1.0
  Si  Si1  1  0.0  0.8  0.99  1.0
  Ag  Ag2  1  0.0  0.34  0.55  1.0
  As  As3  1  0.0  0.13  0.68  1.0

Si Si Ag As
Si Si Ag As 0 2 o o o 0 1 - + o 0 1 o o o 1 3 o o o 1 3 o o + 1 2 o o o 1 2 + o + 1 1 + - o 2 3 o o o 
AgSi2As crystallizes in the triclinic P1 space group. Ag(1) is bonded in a linear geometry to one Si(1), two equivalent Si(2), and one As(1) atom. The Ag(1)-Si(1) bond length is 1.11 Å. There is one shorter (2.65 Å) and one longer (3.25 Å) Ag(1)-Si(2) bond length. The Ag(1)-As(1) bond length is 1.52 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one Ag(1) and one Si(2) atom. The Si(1)-Si(2) bond length is 2.53 Å. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to two equivalent Ag(1), one Si(1), two equivalent Si(2), and one As(1) atom. Both Si(2)-Si(2) bond lengths are 2.77 Å. The Si(2)-As(1) bond length is 2.95 Å. As(1) is bonded in a single-bond geometry to one Ag(1) and one Si(2) atom.