data_Si2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.69
_cell_length_c   3.98
_cell_angle_alpha   70.9
_cell_angle_beta   68.47
_cell_angle_gamma   40.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgSb
_chemical_formula_sum   'Si2 Ag1 Sb1'
_cell_volume   78.99
_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  0.0  0.45  0.5  1.0
  Si  Si3  1  0.72  0.45  0.5  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.72  0.91  0.99  1.0

data_Si2AgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   5.69
_cell_angle_alpha   109.1
_cell_angle_beta   109.1
_cell_angle_gamma   93.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgSb
_chemical_formula_sum   'Si2 Ag1 Sb1'
_cell_volume   78.99
_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  0.05  0.55  0.55  1.0
  Si  Si1  1  0.33  0.55  0.82  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.38  0.09  0.37  1.0

Si Si Ag Sb
AgSi2Sb crystallizes in the triclinic P1 space group. Ag(1) is bonded in a 1-coordinate geometry to two equivalent Si(1) and one Sb(1) atom. There is one shorter (2.70 Å) and one longer (3.09 Å) Ag(1)-Si(1) bond length. The Ag(1)-Sb(1) bond length is 2.05 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Ag(1), one Si(2), and three equivalent Sb(1) atoms. The Si(1)-Si(2) bond length is 1.60 Å. There are a spread of Si(1)-Sb(1) bond distances ranging from 2.44-3.06 Å. In the second Si site, Si(2) is bonded in a 1-coordinate geometry to one Si(1) and two equivalent Sb(1) atoms. There is one shorter (2.70 Å) and one longer (3.09 Å) Si(2)-Sb(1) bond length. Sb(1) is bonded in a 6-coordinate geometry to one Ag(1), two equivalent Si(2), and three equivalent Si(1) atoms.