data_ScTa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.88
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   96.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Ge
_chemical_formula_sum   'Sc1 Ta2 Ge1'
_cell_volume   74.96
_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  0.0  1.0
  Ta  Ta2  1  0.83  0.44  0.28  1.0
  Ta  Ta3  1  0.57  0.44  0.87  1.0
  Ge  Ge0  1  0.2  0.0  0.57  1.0

data_ScTa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.88
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   96.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Ge
_chemical_formula_sum   'Sc1 Ta2 Ge1'
_cell_volume   74.96
_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  0.0  1.0
  Ta  Ta1  1  0.57  0.44  0.87  1.0
  Ta  Ta2  1  0.83  0.44  0.28  1.0
  Ge  Ge3  1  0.2  0.0  0.57  1.0

Sc Ta Ta Ge
Sc Ta Ta Ge 0 2 - - - 0 2 - o - 0 2 o o - 0 1 - - o 0 1 - o o 0 3 - o - 0 3 o o - 0 3 o o o 0 0 + o o 1 2 o o - 1 3 + + o 1 3 + o o 2 3 o o o 2 3 o + o 3 3 + o o 
ScTa2Ge crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 1-coordinate geometry to one Ta(1), one Ta(2), and one Ge(1) atom. The Sc(1)-Ta(1) bond length is 2.68 Å. The Sc(1)-Ta(2) bond length is 2.57 Å. The Sc(1)-Ge(1) bond length is 2.35 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to one Sc(1), one Ta(2), and two equivalent Ge(1) atoms. The Ta(1)-Ta(2) bond length is 2.18 Å. There is one shorter (2.80 Å) and one longer (3.25 Å) Ta(1)-Ge(1) bond length. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Sc(1), one Ta(1), and one Ge(1) atom. The Ta(2)-Ge(1) bond length is 2.80 Å. Ge(1) is bonded in a 1-coordinate geometry to one Sc(1), one Ta(2), and two equivalent Ta(1) atoms.