data_Tc3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Sn
_chemical_formula_sum   'Tc6 Sn2'
_cell_volume   128.19
_cell_formula_units_Z   2
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  Tc2  1  0.26  0.0  0.52  1.0
  Tc  Tc3  1  0.78  0.0  0.52  1.0
  Tc  Tc4  1  0.52  0.26  0.0  1.0
  Tc  Tc5  1  0.52  0.78  0.0  1.0
  Tc  Tc6  1  0.0  0.52  0.78  1.0
  Tc  Tc7  1  0.0  0.52  0.26  1.0
  Sn  Sn0  1  0.52  0.52  0.52  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0

data_Tc3Sn
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Tc3Sn
_chemical_formula_sum   'Tc18 Sn6'
_cell_volume   384.58
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.0  0.74  0.26  1.0
  Tc  Tc1  9  0.01  0.25  0.77  1.0
  Sn  Sn2  3  0.0  0.0  0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.52  1.0

Tc Tc Tc Tc Tc Tc Sn Sn
Tc3Sn is beta Uranium-derived structured and crystallizes in the trigonal R3 space group. There are ten inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. There are two shorter (3.05 Å) and two longer (3.22 Å) Tc(1)-Tc(1,1,1,1) bond lengths. There are a spread of Tc(1)-Tc(2) bond distances ranging from 2.41-3.22 Å. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. In the second Tc site, Tc(2) is bonded in a 14-coordinate geometry to four equivalent Tc(2); six Tc(1,1,1,1,1,1); two equivalent Sn(1); and two equivalent Sn(2) atoms. There are two shorter (2.96 Å) and two longer (3.14 Å) Tc(2)-Tc(2) bond lengths. There are a spread of Tc(2)-Tc(1,1,1,1,1) bond distances ranging from 2.41-3.22 Å. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(2)-Sn(1) bond length. There is one shorter (2.65 Å) and one longer (2.85 Å) Tc(2)-Sn(2) bond length. In the third Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. There are two shorter (3.05 Å) and one longer (3.22 Å) Tc(1)-Tc(1,1,1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. In the fourth Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. Both Tc(1)-Tc(1,1) bond lengths are 3.05 Å. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. In the fifth Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. There is one shorter (3.05 Å) and two longer (3.22 Å) Tc(1)-Tc(1,1,1) bond lengths. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. In the sixth Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. There is one shorter (3.05 Å) and one longer (3.22 Å) Tc(1)-Tc(1,1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. In the seventh Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. The Tc(1)-Tc(1) bond length is 3.05 Å. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. In the eighth Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. Both Tc(1)-Tc(1,1) bond lengths are 3.22 Å. There are a spread of Tc(1)-Tc(2) bond distances ranging from 2.41-3.22 Å. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. In the ninth Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. The Tc(1)-Tc(1) bond length is 3.22 Å. There are a spread of Tc(1)-Tc(2) bond distances ranging from 2.41-3.22 Å. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. In the tenth Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1,1); six equivalent Tc(2); two equivalent Sn(1); and two equivalent Sn(2) atoms. There are a spread of Tc(1)-Tc(2) bond distances ranging from 2.41-3.22 Å. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(1) bond length. There is one shorter (2.75 Å) and one longer (2.94 Å) Tc(1)-Sn(2) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six Tc(1,1,1,1,1,1) and six equivalent Tc(2) atoms to form a mixture of edge and face-sharing SnTc12 cuboctahedra. In the second Sn site, Sn(2) is bonded to six Tc(1,1,1,1,1,1) and six equivalent Tc(2) atoms to form a mixture of edge and face-sharing SnTc12 cuboctahedra.