data_Nb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   6.47
_cell_angle_alpha   101.25
_cell_angle_beta   101.25
_cell_angle_gamma   39.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Ge
_chemical_formula_sum   'Nb4 Ge2'
_cell_volume   105.11
_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  Nb2  1  0.32  0.0  0.46  1.0
  Nb  Nb3  1  0.49  0.0  0.51  1.0
  Nb  Nb4  1  0.63  0.0  0.65  1.0
  Nb  Nb5  1  0.33  0.0  0.99  1.0
  Ge  Ge0  1  0.1  0.0  0.23  1.0
  Ge  Ge1  1  0.28  0.0  0.42  1.0

data_Nb2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.09
_cell_length_c   6.47
_cell_angle_alpha   101.25
_cell_angle_beta   90.0
_cell_angle_gamma   109.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Ge
_chemical_formula_sum   'Nb4 Ge2'
_cell_volume   105.11
_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  0.0  0.37  0.35  1.0
  Nb  Nb1  1  0.0  0.51  0.49  1.0
  Nb  Nb2  1  0.0  0.67  0.01  1.0
  Nb  Nb3  1  0.0  0.68  0.54  1.0
  Ge  Ge4  1  0.0  0.72  0.58  1.0
  Ge  Ge5  1  0.0  0.9  0.77  1.0

Nb Nb Nb Nb Ge Ge