data_InSiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiAg2
_chemical_formula_sum   'In1 Si1 Ag2'
_cell_volume   76.91
_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
  In  In2  1  0.0  0.0  0.21  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.11  0.0  0.88  1.0
  Ag  Ag1  1  0.11  0.0  0.54  1.0

data_InSiAg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InSiAg2
_chemical_formula_sum   'In1 Si1 Ag2'
_cell_volume   76.95
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  In  In0  1  0.0  0.0  0.21  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.11  0.0  0.54  1.0
  Ag  Ag3  1  0.11  0.0  0.88  1.0

In Si Ag Ag
In Si Ag Ag 0 1 o o o 0 3 o o o 1 2 o o - 2 3 o o o 3 3 o + o 3 3 + o o 
Ag2InSi crystallizes in the monoclinic Pm space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one Ag(2) and one Si(1) atom. The Ag(1)-Ag(2) bond length is 2.80 Å. The Ag(1)-Si(1) bond length is 1.09 Å. In the second Ag site, Ag(2) is bonded to one Ag(1), four equivalent Ag(2), and one In(1) atom to form a mixture of corner and edge-sharing AgInAg5 octahedra. The corner-sharing octahedra are not tilted. All Ag(2)-Ag(2) bond lengths are 3.02 Å. The Ag(2)-In(1) bond length is 2.83 Å. In(1) is bonded in a distorted single-bond geometry to one Ag(2) and one Si(1) atom. The In(1)-Si(1) bond length is 1.77 Å. Si(1) is bonded in a distorted linear geometry to one Ag(1) and one In(1) atom.