data_Sc2TcTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   4.44
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcTe
_chemical_formula_sum   'Sc2 Tc1 Te1'
_cell_volume   82.08
_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  0.49  0.0  0.93  1.0
  Sc  Sc1  1  0.05  0.22  0.73  1.0
  Tc  Tc2  1  0.31  0.0  0.33  1.0
  Te  Te3  1  0.27  0.22  0.03  1.0

data_Sc2TcTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.44
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcTe
_chemical_formula_sum   'Sc2 Tc1 Te1'
_cell_volume   82.08
_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  0.05  0.22  0.73  1.0
  Sc  Sc1  1  0.49  0.0  0.93  1.0
  Tc  Tc2  1  0.31  0.0  0.33  1.0
  Te  Te3  1  0.27  0.22  0.03  1.0

Sc Sc Tc Te
Sc Sc Tc Te 0 3 o o + 0 1 o o o 1 3 o o + 2 3 o o o 
Sc2TcTe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2TcTe cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Te(1) atom. The Sc(1)-Te(1) bond length is 1.48 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Te(1) atom. The Sc(2)-Te(1) bond length is 1.59 Å. Tc(1) is bonded in a 1-coordinate geometry to one Te(1) atom. The Tc(1)-Te(1) bond length is 1.86 Å. Te(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Tc(1) atom.