data_Sc2CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   141.22
_cell_angle_beta   132.55
_cell_angle_gamma   62.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrGe
_chemical_formula_sum   'Sc2 Cr1 Ge1'
_cell_volume   70.98
_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  0.0  0.0  0.09  1.0
  Sc  Sc3  1  0.79  0.0  0.35  1.0
  Cr  Cr0  1  0.0  0.0  0.86  1.0
  Ge  Ge1  1  0.0  0.16  0.07  1.0

data_Sc2CrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.33
_cell_length_c   5.38
_cell_angle_alpha   113.73
_cell_angle_beta   109.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrGe
_chemical_formula_sum   'Sc2 Cr1 Ge1'
_cell_volume   70.98
_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  0.09  0.09  1.0
  Sc  Sc1  1  0.0  0.35  0.56  1.0
  Cr  Cr2  1  0.0  0.86  0.86  1.0
  Ge  Ge3  1  0.84  0.91  0.91  1.0

Sc Sc Cr Ge
Sc Sc Cr Ge 0 3 o o o 0 1 - o o 1 3 + o + 1 2 + o o 2 3 o o + 
Sc2CrGe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2CrGe cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Ge(1) atom. The Sc(1)-Ge(1) bond length is 0.96 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Cr(1) atom. The Sc(2)-Cr(1) bond length is 2.14 Å. Cr(1) is bonded in a distorted single-bond geometry to one Sc(2) and one Ge(1) atom. The Cr(1)-Ge(1) bond length is 0.72 Å. Ge(1) is bonded in an L-shaped geometry to one Sc(1) and one Cr(1) atom.