data_Sc2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   122.2
_cell_angle_beta   119.76
_cell_angle_gamma   88.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuTc
_chemical_formula_sum   'Sc2 Cu1 Tc1'
_cell_volume   67.32
_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  Sc1  1  0.0  0.3  0.64  1.0
  Sc  Sc2  1  0.22  0.0  0.65  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.29  1.0

data_Sc2CuTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.24
_cell_angle_beta   61.1
_cell_angle_gamma   61.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuTc
_chemical_formula_sum   'Sc2 Cu1 Tc1'
_cell_volume   67.32
_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  0.44  0.22  0.35  1.0
  Sc  Sc1  1  0.64  -0.0  0.67  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.29  0.0  0.71  1.0

Sc Sc Cu Tc
Sc Sc Cu Tc 0 3 o o o 0 1 o o o 1 3 o o o 2 3 o o o 
Sc2TcCu crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Tc(1) and two equivalent Cu(1) atoms. The Sc(1)-Tc(1) bond length is 1.45 Å. There is one shorter (2.68 Å) and one longer (2.71 Å) Sc(1)-Cu(1) bond length. In the second Sc site, Sc(2) is bonded in a 2-coordinate geometry to one Tc(1) and two equivalent Cu(1) atoms. The Sc(2)-Tc(1) bond length is 1.45 Å. There is one shorter (2.26 Å) and one longer (3.12 Å) Sc(2)-Cu(1) bond length. Tc(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Cu(1) atom. The Tc(1)-Cu(1) bond length is 1.35 Å. Cu(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), and one Tc(1) atom.