data_ScAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   5.08
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   91.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg2Ge
_chemical_formula_sum   'Sc1 Ag2 Ge1'
_cell_volume   76.31
_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
  Ag  Ag0  1  0.78  0.54  0.6  1.0
  Ag  Ag1  1  0.23  0.54  0.2  1.0
  Ge  Ge2  1  0.51  0.0  0.4  1.0

data_ScAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.8
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg2Ge
_chemical_formula_sum   'Sc1 Ag2 Ge1'
_cell_volume   76.31
_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
  Ag  Ag1  1  0.22  0.4  0.46  1.0
  Ag  Ag2  1  0.77  0.8  0.46  1.0
  Ge  Ge3  1  0.49  0.6  0.0  1.0

Sc Ag Ag Ge
ScAg2Ge crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 3-coordinate geometry to one Ag(2), two equivalent Ag(1), and two equivalent Ge(1) atoms. The Sc(1)-Ag(2) bond length is 2.61 Å. There is one shorter (3.09 Å) and one longer (3.42 Å) Sc(1)-Ag(1) bond length. There is one shorter (2.45 Å) and one longer (2.49 Å) Sc(1)-Ge(1) bond length. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Ag(2), and two equivalent Ge(1) atoms. There is one shorter (2.41 Å) and one longer (2.55 Å) Ag(1)-Ag(2) bond length. There is one shorter (2.66 Å) and one longer (3.03 Å) Ag(1)-Ge(1) bond length. In the second Ag site, Ag(2) is bonded in a 1-coordinate geometry to one Sc(1) and two equivalent Ag(1) atoms. Ge(1) is bonded in a 2-coordinate geometry to two equivalent Sc(1) and two equivalent Ag(1) atoms.