data_ScTaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   145.79
_cell_angle_beta   131.58
_cell_angle_gamma   60.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaTc2
_chemical_formula_sum   'Sc1 Ta1 Tc2'
_cell_volume   66.52
_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
  Sc  Sc0  1  0.0  0.0  0.64  1.0
  Ta  Ta1  1  0.0  0.22  0.46  1.0
  Tc  Tc2  1  0.0  0.0  0.04  1.0
  Tc  Tc3  1  0.6  0.0  0.23  1.0

data_ScTaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.45
_cell_length_c   5.43
_cell_angle_alpha   114.21
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaTc2
_chemical_formula_sum   'Sc1 Ta1 Tc2'
_cell_volume   66.52
_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
  Sc  Sc0  1  0.0  0.64  0.64  1.0
  Ta  Ta1  1  0.78  0.24  0.24  1.0
  Tc  Tc2  1  0.0  0.04  0.04  1.0
  Tc  Tc3  1  0.0  0.23  0.64  1.0

Sc Ta Tc Tc
ScTaTc2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 4-coordinate geometry to one Ta(1), one Tc(1), and two equivalent Tc(2) atoms. The Sc(1)-Ta(1) bond length is 2.08 Å. The Sc(1)-Tc(1) bond length is 2.16 Å. There is one shorter (1.80 Å) and one longer (2.65 Å) Sc(1)-Tc(2) bond length. Ta(1) is bonded in a 4-coordinate geometry to one Sc(1), one Tc(2), and two equivalent Tc(1) atoms. The Ta(1)-Tc(2) bond length is 2.08 Å. There is one shorter (1.47 Å) and one longer (2.39 Å) Ta(1)-Tc(1) bond length. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Ta(1) atoms. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one Ta(1) atom.