data_NbRe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2Ge
_chemical_formula_sum   'Nb1 Re2 Ge1'
_cell_volume   63.15
_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  Nb1  1  0.45  0.45  0.63  1.0
  Re  Re2  1  0.0  0.0  0.17  1.0
  Re  Re3  1  0.45  0.45  0.89  1.0
  Ge  Ge0  1  0.0  0.0  0.64  1.0

data_NbRe2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbRe2Ge
_chemical_formula_sum   'Nb2 Re4 Ge2'
_cell_volume   126.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Nb0  2  0.45  0.0  0.63  1.0
  Re  Re1  2  0.0  0.0  0.17  1.0
  Re  Re2  2  0.45  0.0  0.89  1.0
  Ge  Ge3  2  0.0  0.0  0.64  1.0

Nb Re Re Ge
Nb Re Re Ge 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o o 1 2 - - - 1 2 - o - 1 2 o - - 1 2 o o - 1 1 + o o 1 1 o + o 
NbRe2Ge crystallizes in the monoclinic Cm space group. Nb(1) is bonded to one Re(2) and four equivalent Ge(1) atoms to form a mixture of edge and corner-sharing NbReGe4 square pyramids. The Nb(1)-Re(2) bond length is 1.90 Å. There are a spread of Nb(1)-Ge(1) bond distances ranging from 1.82-2.27 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to four equivalent Re(1), four equivalent Re(2), and one Ge(1) atom. All Re(1)-Re(1) bond lengths are 2.89 Å. There are a spread of Re(1)-Re(2) bond distances ranging from 2.84-3.14 Å. The Re(1)-Ge(1) bond length is 3.48 Å. In the second Re site, Re(2) is bonded in a single-bond geometry to one Nb(1) and four equivalent Re(1) atoms. Ge(1) is bonded in a distorted square co-planar geometry to four equivalent Nb(1) and one Re(1) atom.