data_TcSn3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn3S
_chemical_formula_sum   'Tc1 Sn3 S1'
_cell_volume   138.49
_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
  Tc  Tc4  1  0.59  0.59  0.59  1.0
  Sn  Sn1  1  0.0  0.59  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.59  1.0
  Sn  Sn3  1  0.59  0.0  0.0  1.0
  S  S0  1  0.0  0.0  0.0  1.0

data_TcSn3S
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcSn3S
_chemical_formula_sum   'Tc3 Sn9 S3'
_cell_volume   415.48
_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
  Tc  Tc0  3  0.0  0.0  0.59  1.0
  Sn  Sn1  9  0.06  0.53  0.53  1.0
  S  S2  3  0.0  0.0  0.0  1.0

Tc Sn Sn Sn S
TcSn3S is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. Tc(1) is bonded in a 3-coordinate geometry to three equivalent Sn(1) atoms. All Tc(1)-Sn(1) bond lengths are 3.02 Å. Sn(1) is bonded in a distorted single-bond geometry to one Tc(1) and two equivalent S(1) atoms. There is one shorter (2.14 Å) and one longer (3.04 Å) Sn(1)-S(1) bond length. S(1) is bonded to six equivalent Sn(1) atoms to form distorted corner-sharing SSn6 octahedra. The corner-sharing octahedra are not tilted.