data_NdGeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdGeRu2
_chemical_formula_sum   'Nd1 Ge1 Ru2'
_cell_volume   69.63
_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
  Nd  Nd1  1  0.27  0.27  0.27  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.63  0.63  0.63  1.0
  Ru  Ru3  1  0.9  0.9  0.9  1.0

data_NdGeRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   11.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NdGeRu2
_chemical_formula_sum   'Nd3 Ge3 Ru6'
_cell_volume   208.9
_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
  Nd  Nd0  3  0.0  0.0  0.73  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.1  1.0
  Ru  Ru3  3  0.0  0.0  0.37  1.0

Nd Ge Ru Ru
Nd Ge Ru Ru 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 o - - 1 2 - o - 1 2 - - o 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
NdRu2Ge crystallizes in the trigonal R3m space group. Nd(1) is bonded in a 10-coordinate geometry to three equivalent Ru(1), three equivalent Ru(2), and four equivalent Ge(1) atoms. All Nd(1)-Ru(1) bond lengths are 2.69 Å. All Nd(1)-Ru(2) bond lengths are 2.69 Å. There are three shorter (2.77 Å) and one longer (3.00 Å) Nd(1)-Ge(1) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to three equivalent Nd(1) atoms. In the second Ru site, Ru(2) is bonded in a single-bond geometry to three equivalent Nd(1) and one Ge(1) atom. The Ru(2)-Ge(1) bond length is 1.15 Å. Ge(1) is bonded in a single-bond geometry to four equivalent Nd(1) and one Ru(2) atom.