data_Ba2ScTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   5.19
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   102.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ScTc
_chemical_formula_sum   'Ba2 Sc1 Tc1'
_cell_volume   123.52
_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
  Ba  Ba0  1  0.46  0.59  0.67  1.0
  Ba  Ba1  1  0.91  0.59  0.72  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.32  0.0  0.19  1.0

data_Ba2ScTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.19
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   102.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ScTc
_chemical_formula_sum   'Ba2 Sc1 Tc1'
_cell_volume   123.52
_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
  Ba  Ba0  1  0.46  0.59  0.67  1.0
  Ba  Ba1  1  0.91  0.59  0.72  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.32  0.0  0.19  1.0

Ba Ba Sc Tc
Ba2ScTc crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Tc(1) atom. There is one shorter (1.63 Å) and one longer (2.15 Å) Ba(1)-Ba(2) bond length. The Ba(1)-Tc(1) bond length is 3.70 Å. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Sc(1) atoms. There is one shorter (2.77 Å) and one longer (3.57 Å) Ba(2)-Sc(1) bond length. Sc(1) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Tc(1) atom. The Sc(1)-Tc(1) bond length is 1.55 Å. Tc(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Sc(1) atom.