data_SnTeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTeCl
_chemical_formula_sum   'Sn1 Te1 Cl1'
_cell_volume   93.69
_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
  Sn  Sn1  1  0.41  0.41  0.41  1.0
  Te  Te2  1  0.6  0.6  0.6  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SnTeCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnTeCl
_chemical_formula_sum   'Sn3 Te3 Cl3'
_cell_volume   281.07
_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
  Sn  Sn0  3  0.0  0.0  0.59  1.0
  Te  Te1  3  0.0  0.0  0.4  1.0
  Cl  Cl2  3  0.0  0.0  -0.0  1.0

Sn Te Cl
Sn Te Cl 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o o o 1 2 o + + 1 2 + o + 1 2 + + o 
SnTeCl crystallizes in the trigonal R3m space group. Sn(1) is bonded to one Te(1) and three equivalent Cl(1) atoms to form distorted SnTeCl3 tetrahedra that share corners with three equivalent Te(1)SnCl3 tetrahedra, corners with six equivalent Sn(1)TeCl3 tetrahedra, and edges with three equivalent Te(1)SnCl3 tetrahedra. The Sn(1)-Te(1) bond length is 2.47 Å. All Sn(1)-Cl(1) bond lengths are 3.08 Å. Te(1) is bonded to one Sn(1) and three equivalent Cl(1) atoms to form distorted TeSnCl3 tetrahedra that share corners with three equivalent Sn(1)TeCl3 tetrahedra, corners with six equivalent Te(1)SnCl3 tetrahedra, and edges with three equivalent Sn(1)TeCl3 tetrahedra. All Te(1)-Cl(1) bond lengths are 3.04 Å. Cl(1) is bonded in a distorted hexagonal planar geometry to three equivalent Sn(1) and three equivalent Te(1) atoms.