data_NbTcSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   3.18
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   112.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcSn2
_chemical_formula_sum   'Nb1 Tc1 Sn2'
_cell_volume   76.55
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.99  0.59  0.51  1.0
  Sn  Sn1  1  0.38  0.0  0.51  1.0
  Sn  Sn2  1  0.4  0.59  0.0  1.0

data_NbTcSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.8
_cell_length_c   5.41
_cell_angle_alpha   112.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcSn2
_chemical_formula_sum   'Nb1 Tc1 Sn2'
_cell_volume   76.55
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.41  0.01  0.49  1.0
  Sn  Sn2  1  0.0  0.62  0.49  1.0
  Sn  Sn3  1  0.41  0.6  0.0  1.0

Nb Tc Sn Sn
NbTcSn2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 3-coordinate geometry to four equivalent Tc(1), one Sn(1), and two equivalent Sn(2) atoms. There are a spread of Nb(1)-Tc(1) bond distances ranging from 2.95-3.34 Å. The Nb(1)-Sn(1) bond length is 2.66 Å. There is one shorter (2.32 Å) and one longer (2.69 Å) Nb(1)-Sn(2) bond length. Tc(1) is bonded in a 12-coordinate geometry to four equivalent Nb(1), two equivalent Tc(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. Both Tc(1)-Tc(1) bond lengths are 3.18 Å. There is one shorter (2.66 Å) and one longer (3.10 Å) Tc(1)-Sn(2) bond length. There are a spread of Tc(1)-Sn(1) bond distances ranging from 2.32-3.44 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Nb(1) and four equivalent Tc(1) atoms. In the second Sn site, Sn(2) is bonded in a 1-coordinate geometry to two equivalent Nb(1) and two equivalent Tc(1) atoms.