data_Sc2TcGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   21.59
_cell_angle_beta   21.59
_cell_angle_gamma   21.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcGe
_chemical_formula_sum   'Sc2 Tc1 Ge1'
_cell_volume   75.59
_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  0.0  0.05  1.0
  Sc  Sc2  1  0.0  0.0  0.15  1.0
  Tc  Tc3  1  0.0  0.0  0.6  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Sc2TcGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   3.22
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2TcGe
_chemical_formula_sum   'Sc4 Tc2 Ge2'
_cell_volume   151.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.85  1.0
  Sc  Sc1  2  0.0  0.0  0.95  1.0
  Tc  Tc2  2  0.0  0.0  0.4  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Sc Sc Tc Ge
Sc Sc Tc Ge 0 3 o o o 0 1 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 
Sc2TcGe crystallizes in the monoclinic Cm 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 Sc(2) and one Ge(1) atom. The Sc(1)-Sc(2) bond length is 0.82 Å. The Sc(1)-Ge(1) bond length is 0.46 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Sc(1) and one Tc(1) atom. The Sc(2)-Tc(1) bond length is 3.89 Å. Tc(1) is bonded to one Sc(2), six equivalent Tc(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing TcScTc6Ge hexagonal bipyramids. All Tc(1)-Tc(1) bond lengths are 3.22 Å. The Tc(1)-Ge(1) bond length is 3.43 Å. Ge(1) is bonded in a single-bond geometry to one Sc(1) and one Tc(1) atom.