data_NbGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   116.67
_cell_angle_beta   116.67
_cell_angle_gamma   116.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe3
_chemical_formula_sum   'Nb1 Ge3'
_cell_volume   70.55
_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  0.0  1.0
  Ge  Ge0  1  0.0  0.62  0.99  1.0
  Ge  Ge1  1  0.27  0.69  0.99  1.0
  Ge  Ge2  1  0.73  0.69  0.99  1.0

data_NbGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   116.67
_cell_angle_beta   100.65
_cell_angle_gamma   100.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe3
_chemical_formula_sum   'Nb1 Ge3'
_cell_volume   70.55
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.99  0.26  0.3  1.0
  Ge  Ge2  1  0.99  0.71  0.3  1.0
  Ge  Ge3  1  0.99  0.99  0.36  1.0

Nb Ge Ge Ge