data_Nb2CdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdGe
_chemical_formula_sum   'Nb2 Cd1 Ge1'
_cell_volume   73.44
_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
  Nb  Nb2  1  0.99  0.99  0.99  1.0
  Nb  Nb3  1  0.32  0.32  0.32  1.0
  Cd  Cd0  1  0.66  0.66  0.66  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_Nb2CdGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   11.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nb2CdGe
_chemical_formula_sum   'Nb6 Cd3 Ge3'
_cell_volume   220.32
_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
  Nb  Nb0  3  0.0  0.0  0.01  1.0
  Nb  Nb1  3  0.0  0.0  0.68  1.0
  Cd  Cd2  3  0.0  0.0  0.34  1.0
  Ge  Ge3  3  0.0  0.0  0.0  1.0

Nb Nb Cd Ge
Nb Nb Cd Ge 0 3 + + + 0 1 + + o 0 1 + o + 0 1 o + + 0 2 + o o 0 2 o + o 0 2 o o + 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o + + 2 3 + o + 2 3 + + o 
Nb2CdGe crystallizes in the trigonal R3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to four equivalent Cd(1) and one Ge(1) atom. There are three shorter (2.72 Å) and one longer (3.73 Å) Nb(1)-Cd(1) bond length. The Nb(1)-Ge(1) bond length is 0.17 Å. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to three equivalent Cd(1) and three equivalent Ge(1) atoms. All Nb(2)-Cd(1) bond lengths are 2.71 Å. All Nb(2)-Ge(1) bond lengths are 2.72 Å. Cd(1) is bonded in a 10-coordinate geometry to three equivalent Nb(2), four equivalent Nb(1), and three equivalent Ge(1) atoms. All Cd(1)-Ge(1) bond lengths are 2.71 Å. Ge(1) is bonded in a single-bond geometry to one Nb(1), three equivalent Nb(2), and three equivalent Cd(1) atoms.