data_TcNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Sn
_chemical_formula_sum   'Tc1 Ni2 Sn1'
_cell_volume   57.12
_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  Tc3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.42  0.42  0.67  1.0
  Ni  Ni1  1  0.42  0.42  0.42  1.0
  Sn  Sn2  1  0.0  0.0  0.54  1.0

data_TcNi2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcNi2Sn
_chemical_formula_sum   'Tc2 Ni4 Sn2'
_cell_volume   114.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Tc0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.42  0.0  0.42  1.0
  Ni  Ni2  2  0.42  0.0  0.67  1.0
  Sn  Sn3  2  0.0  0.0  0.54  1.0

Tc Ni Ni Sn
TcNi2Sn crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a 10-coordinate geometry to four equivalent Tc(1), one Ni(2), four equivalent Ni(1), and one Sn(1) atom. All Tc(1)-Tc(1) bond lengths are 2.84 Å. The Tc(1)-Ni(2) bond length is 3.39 Å. There are a spread of Tc(1)-Ni(1) bond distances ranging from 2.86-3.29 Å. The Tc(1)-Sn(1) bond length is 3.23 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to four equivalent Tc(1), one Ni(2), and four equivalent Sn(1) atoms. The Ni(1)-Ni(2) bond length is 1.83 Å. There are a spread of Ni(1)-Sn(1) bond distances ranging from 1.92-2.50 Å. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one Tc(1), one Ni(1), and four equivalent Sn(1) atoms. There are a spread of Ni(2)-Sn(1) bond distances ranging from 1.92-2.50 Å. Sn(1) is bonded in a 8-coordinate geometry to one Tc(1), four equivalent Ni(1), and four equivalent Ni(2) atoms.