data_ScFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeGe2
_chemical_formula_sum   'Sc1 Fe1 Ge2'
_cell_volume   62.62
_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  Sc3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.74  0.0  0.0  1.0
  Ge  Ge1  1  0.37  0.21  0.59  1.0
  Ge  Ge2  1  0.37  0.79  0.59  1.0

data_ScFeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   105.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeGe2
_chemical_formula_sum   'Sc1 Fe1 Ge2'
_cell_volume   62.62
_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
  Fe  Fe1  1  -0.0  0.74  0.0  1.0
  Ge  Ge2  1  0.59  0.37  0.21  1.0
  Ge  Ge3  1  0.59  0.37  0.79  1.0

Sc Fe Ge Ge
Sc Fe Ge Ge 0 1 - o o 0 2 o o - 1 3 o - - 2 3 o - o 
ScFeGe2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 1-coordinate geometry to one Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. The Sc(1)-Fe(1) bond length is 1.17 Å. There is one shorter (2.13 Å) and one longer (2.54 Å) Sc(1)-Ge(1) bond length. There is one shorter (2.48 Å) and one longer (2.84 Å) Sc(1)-Ge(2) bond length. Fe(1) is bonded in a distorted single-bond geometry to one Sc(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. There is one shorter (2.48 Å) and one longer (2.84 Å) Fe(1)-Ge(1) bond length. There is one shorter (2.13 Å) and one longer (2.54 Å) Fe(1)-Ge(2) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Fe(1), and two equivalent Ge(2) atoms. There is one shorter (1.88 Å) and one longer (2.64 Å) Ge(1)-Ge(2) bond length. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Fe(1), and two equivalent Ge(1) atoms.