data_Nb4Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Ge3
_chemical_formula_sum   'Nb4 Ge3'
_cell_volume   117.09
_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  Nb3  1  0.0  0.0  0.73  1.0
  Nb  Nb4  1  0.0  0.0  0.23  1.0
  Nb  Nb5  1  0.0  0.02  0.0  1.0
  Nb  Nb6  1  0.61  0.51  0.0  1.0
  Ge  Ge0  1  0.31  0.26  0.48  1.0
  Ge  Ge1  1  0.61  0.0  0.48  1.0
  Ge  Ge2  1  0.69  0.26  0.48  1.0

data_Nb4Ge3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Ge3
_chemical_formula_sum   'Nb4 Ge3'
_cell_volume   117.09
_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  Nb0  1  -0.0  0.61  0.51  1.0
  Nb  Nb1  1  -0.0  -0.0  0.02  1.0
  Nb  Nb2  1  0.23  0.0  0.0  1.0
  Nb  Nb3  1  0.73  0.0  0.0  1.0
  Ge  Ge4  1  0.48  0.31  0.26  1.0
  Ge  Ge5  1  0.48  0.61  0.0  1.0
  Ge  Ge6  1  0.48  0.69  0.26  1.0

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