data_ScCr4Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr4Ge
_chemical_formula_sum   'Sc1 Cr4 Ge1'
_cell_volume   82.43
_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  Sc5  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.31  0.31  0.6  1.0
  Cr  Cr1  1  0.6  0.6  0.6  1.0
  Cr  Cr2  1  0.31  0.6  0.31  1.0
  Cr  Cr3  1  0.6  0.31  0.31  1.0
  Ge  Ge4  1  0.18  0.18  0.18  1.0

data_ScCr4Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScCr4Ge
_chemical_formula_sum   'Sc3 Cr12 Ge3'
_cell_volume   247.29
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Cr  Cr1  9  0.1  0.19  0.59  1.0
  Cr  Cr2  3  0.0  0.0  0.4  1.0
  Ge  Ge3  3  0.0  0.0  0.82  1.0

Sc Cr Cr Cr Cr Ge
ScCr4Ge crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 4-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), and one Ge(1) atom. All Sc(1)-Cr(1) bond lengths are 2.19 Å. All Sc(1)-Cr(2) bond lengths are 2.94 Å. The Sc(1)-Ge(1) bond length is 2.17 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Cr(1), three equivalent Cr(2), and one Ge(1) atom. Both Cr(1)-Cr(1) bond lengths are 1.41 Å. There is one shorter (2.44 Å) and two longer (3.03 Å) Cr(1)-Cr(2) bond lengths. The Cr(1)-Ge(1) bond length is 2.39 Å. In the second Cr site, Cr(2) is bonded in a 15-coordinate geometry to three equivalent Sc(1), nine equivalent Cr(1), and three equivalent Ge(1) atoms. All Cr(2)-Ge(1) bond lengths are 2.99 Å. Ge(1) is bonded in a 4-coordinate geometry to one Sc(1), three equivalent Cr(1), and three equivalent Cr(2) atoms.