data_AgSnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSnCl
_chemical_formula_sum   'Ag1 Sn1 Cl1'
_cell_volume   85.34
_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
  Ag  Ag0  1  0.24  0.24  0.24  1.0
  Sn  Sn2  1  0.75  0.75  0.75  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_AgSnCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   12.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgSnCl
_chemical_formula_sum   'Ag3 Sn3 Cl3'
_cell_volume   256.02
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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  3  0.0  0.0  0.76  1.0
  Sn  Sn1  3  0.0  0.0  0.25  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0

Ag Sn Cl
Ag Sn Cl 0 2 o o o 0 2 o o + 0 2 + o o 0 2 o + o 0 1 - - o 0 1 - o - 0 1 - o o 0 1 o - - 0 1 o - o 0 1 o o - 1 2 o + + 1 2 + o + 1 2 + + o 1 2 + + + 
AgSnCl is half-Heusler structured and crystallizes in the trigonal R3m space group. Ag(1) is bonded to four equivalent Cl(1) atoms to form AgCl4 tetrahedra that share corners with four equivalent Sn(1)Cl4 tetrahedra, corners with twelve equivalent Ag(1)Cl4 tetrahedra, and edges with six equivalent Sn(1)Cl4 tetrahedra. There is one shorter (2.92 Å) and three longer (3.06 Å) Ag(1)-Cl(1) bond lengths. Sn(1) is bonded to four equivalent Cl(1) atoms to form distorted SnCl4 tetrahedra that share corners with four equivalent Ag(1)Cl4 tetrahedra, corners with twelve equivalent Sn(1)Cl4 tetrahedra, and edges with six equivalent Ag(1)Cl4 tetrahedra. There are three shorter (3.02 Å) and one longer (3.06 Å) Sn(1)-Cl(1) bond length. Cl(1) is bonded in a body-centered cubic geometry to four equivalent Ag(1) and four equivalent Sn(1) atoms.