data_Nb2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.21
_cell_length_c   8.32
_cell_angle_alpha   51.44
_cell_angle_beta   47.44
_cell_angle_gamma   81.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Ge3
_chemical_formula_sum   'Nb4 Ge6'
_cell_volume   173.59
_cell_formula_units_Z   2
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  Nb6  1  0.9  0.48  0.23  1.0
  Nb  Nb7  1  0.45  0.7  0.23  1.0
  Nb  Nb8  1  0.07  0.74  0.98  1.0
  Nb  Nb9  1  0.28  0.44  0.98  1.0
  Ge  Ge0  1  0.02  0.87  0.98  1.0
  Ge  Ge1  1  0.33  0.31  0.98  1.0
  Ge  Ge2  1  0.86  0.36  0.24  1.0
  Ge  Ge3  1  0.17  0.92  0.24  1.0
  Ge  Ge4  1  0.67  0.09  0.64  1.0
  Ge  Ge5  1  0.84  0.05  0.87  1.0

data_Nb2Ge3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   6.21
_cell_length_c   6.59
_cell_angle_alpha   81.13
_cell_angle_beta   67.59
_cell_angle_gamma   66.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Ge3
_chemical_formula_sum   'Nb4 Ge6'
_cell_volume   173.59
_cell_formula_units_Z   2
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  Nb0  1  0.02  0.42  0.26  1.0
  Nb  Nb1  1  0.02  0.72  0.04  1.0
  Nb  Nb2  1  0.77  0.72  0.14  1.0
  Nb  Nb3  1  0.77  0.93  0.68  1.0
  Ge  Ge4  1  0.02  0.29  0.31  1.0
  Ge  Ge5  1  0.02  0.85  1.0  1.0
  Ge  Ge6  1  0.13  0.92  0.71  1.0
  Ge  Ge7  1  0.36  0.73  0.32  1.0
  Ge  Ge8  1  0.76  0.15  0.41  1.0
  Ge  Ge9  1  0.76  0.59  0.09  1.0

Nb Nb Nb Nb Ge Ge Ge Ge Ge Ge
Nb Nb Nb Nb Ge Ge Ge Ge Ge Ge 0 6 o o o 0 8 o o o 1 7 o o o 1 9 o + - 2 4 o o o 3 5 o o o 4 9 - + o 5 7 o - + 6 8 o o o 