data_TcSb4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSb4Cl
_chemical_formula_sum   'Tc1 Sb4 Cl1'
_cell_volume   157.08
_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  Tc5  1  0.42  0.42  0.42  1.0
  Sb  Sb1  1  0.35  0.35  0.21  1.0
  Sb  Sb2  1  0.35  0.21  0.35  1.0
  Sb  Sb3  1  0.21  0.35  0.35  1.0
  Sb  Sb4  1  0.21  0.21  0.21  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TcSb4Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   14.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcSb4Cl
_chemical_formula_sum   'Tc3 Sb12 Cl3'
_cell_volume   471.23
_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  0.58  1.0
  Sb  Sb1  9  0.09  0.05  0.69  1.0
  Sb  Sb2  3  0.0  0.0  0.79  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Tc Sb Sb Sb Sb Cl
Tc Sb Sb Sb Sb Cl 0 3 o o o 0 2 o o o 0 1 o o o 0 5 + o o 0 5 o + o 0 5 o o + 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + o o 1 5 o + o 1 5 o o + 2 3 o o o 2 4 o o o 2 5 + o o 2 5 o + o 2 5 o o + 3 4 o o o 3 5 o + o 3 5 + o o 3 5 o o + 4 5 o + o 4 5 + o o 4 5 o o + 4 5 o o o 
TcSb4Cl is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three TcSb4Cl clusters. Tc(1) is bonded in a 3-coordinate geometry to three equivalent Sb(1) atoms. All Tc(1)-Sb(1) bond lengths are 1.81 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 2-coordinate geometry to one Tc(1), one Sb(2), and two equivalent Sb(1) atoms. The Sb(1)-Sb(2) bond length is 1.48 Å. Both Sb(1)-Sb(1) bond lengths are 0.86 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to three equivalent Sb(1) and one Cl(1) atom. The Sb(2)-Cl(1) bond length is 3.14 Å. Cl(1) is bonded in a distorted single-bond geometry to one Sb(2) atom.