data_AgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSn
_chemical_formula_sum   'Ag4 Sn4'
_cell_volume   182.72
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.3  0.3  0.3  1.0
  Ag  Ag1  1  0.53  0.37  0.14  1.0
  Ag  Ag2  1  0.37  0.14  0.53  1.0
  Ag  Ag3  1  0.14  0.53  0.37  1.0
  Sn  Sn4  1  0.56  0.56  0.56  1.0
  Sn  Sn5  1  0.28  0.11  0.4  1.0
  Sn  Sn6  1  0.11  0.4  0.28  1.0
  Sn  Sn7  1  0.4  0.28  0.11  1.0

data_AgSn
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   AgSn
_chemical_formula_sum   'Ag12 Sn12'
_cell_volume   548.16
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ag  Ag0  9  0.02  0.82  0.35  1.0
  Ag  Ag1  3  0.0  0.0  0.3  1.0
  Sn  Sn2  9  0.01  0.87  0.26  1.0
  Sn  Sn3  3  0.0  0.0  0.56  1.0

Ag Ag Ag Ag Sn Sn Sn Sn
SnAg crystallizes in the trigonal R3 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a trigonal non-coplanar geometry to one Sn(1) and three equivalent Sn(2) atoms. The Ag(1)-Sn(1) bond length is 2.51 Å. All Ag(1)-Sn(2) bond lengths are 1.21 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Sn(2) and two equivalent Sn(1) atoms. The Ag(2)-Sn(2) bond length is 0.94 Å. There is one shorter (2.61 Å) and one longer (3.48 Å) Ag(2)-Sn(1) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Ag(1) and six equivalent Ag(2) atoms. In the second Sn site, Sn(2) is bonded in a distorted water-like geometry to one Ag(1) and one Ag(2) atom.