data_Sc2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GePb
_chemical_formula_sum   'Sc2 Ge1 Pb1'
_cell_volume   88.07
_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  Sc2  1  0.62  0.93  0.65  1.0
  Sc  Sc3  1  0.62  0.07  0.65  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.24  0.0  0.0  1.0

data_Sc2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   103.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GePb
_chemical_formula_sum   'Sc2 Ge1 Pb1'
_cell_volume   88.07
_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  0.65  0.62  0.07  1.0
  Sc  Sc1  1  0.65  0.62  0.93  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.24  0.0  1.0

Sc Sc Ge Pb
Sc Sc Ge Pb 0 1 o + o 2 3 o o o 
Sc2PbGe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2PbGe cluster. 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) atom. The Sc(1)-Sc(2) bond length is 0.70 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Sc(1) and one Pb(1) atom. The Sc(2)-Pb(1) bond length is 2.27 Å. Pb(1) is bonded in a 2-coordinate geometry to one Sc(2) and one Ge(1) atom. The Pb(1)-Ge(1) bond length is 1.25 Å. Ge(1) is bonded in a 1-coordinate geometry to one Pb(1) atom.