data_TcSn4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn4Sb
_chemical_formula_sum   'Tc1 Sn4 Sb1'
_cell_volume   160.74
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.24  0.24  0.4  1.0
  Sn  Sn2  1  0.24  0.4  0.24  1.0
  Sn  Sn3  1  0.4  0.24  0.24  1.0
  Sn  Sn4  1  0.4  0.4  0.4  1.0
  Sb  Sb0  1  0.16  0.16  0.16  1.0

data_TcSn4Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   14.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcSn4Sb
_chemical_formula_sum   'Tc3 Sn12 Sb3'
_cell_volume   482.21
_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  0.0  1.0
  Sn  Sn1  9  0.05  0.11  0.71  1.0
  Sn  Sn2  3  0.0  0.0  0.6  1.0
  Sb  Sb3  3  0.0  0.0  0.84  1.0

Tc Sn Sn Sn Sn Sb
Tc Sn Sn Sn Sn Sb 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
TcSn4Sb crystallizes in the trigonal R3m space group. Tc(1) is bonded in a distorted tetrahedral geometry to three equivalent Sn(1) and one Sb(1) atom. All Tc(1)-Sn(1) bond lengths are 3.03 Å. The Tc(1)-Sb(1) bond length is 2.36 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Tc(1), one Sn(2), two equivalent Sn(1), and one Sb(1) atom. The Sn(1)-Sn(2) bond length is 1.70 Å. Both Sn(1)-Sn(1) bond lengths are 0.98 Å. The Sn(1)-Sb(1) bond length is 2.04 Å. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to three equivalent Sn(1) atoms. Sb(1) is bonded in a 4-coordinate geometry to one Tc(1) and three equivalent Sn(1) atoms.