data_NbGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.94
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe3
_chemical_formula_sum   'Nb1 Ge3'
_cell_volume   70.12
_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  0.48  0.47  0.57  1.0
  Ge  Ge0  1  0.48  0.0  0.03  1.0
  Ge  Ge1  1  0.0  0.0  0.38  1.0
  Ge  Ge2  1  0.0  0.47  0.0  1.0

data_NbGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.79
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe3
_chemical_formula_sum   'Nb1 Ge3'
_cell_volume   70.12
_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  0.52  0.43  0.53  1.0
  Ge  Ge1  1  -0.0  1.0  0.53  1.0
  Ge  Ge2  1  0.0  0.62  0.0  1.0
  Ge  Ge3  1  0.52  0.97  0.0  1.0

Nb Ge Ge Ge