data_Nb3Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Ge5
_chemical_formula_sum   'Nb3 Ge5'
_cell_volume   138.07
_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  Nb5  1  0.73  0.0  0.0  1.0
  Nb  Nb6  1  0.61  0.0  0.39  1.0
  Nb  Nb7  1  0.85  0.0  0.39  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.87  0.07  0.0  1.0
  Ge  Ge2  1  0.87  0.93  0.0  1.0
  Ge  Ge3  1  0.73  0.13  0.39  1.0
  Ge  Ge4  1  0.73  0.87  0.39  1.0

data_Nb3Ge5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.79
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb3Ge5
_chemical_formula_sum   'Nb3 Ge5'
_cell_volume   138.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.73  1.0
  Nb  Nb1  1  0.39  0.0  0.61  1.0
  Nb  Nb2  1  0.39  0.0  0.85  1.0
  Ge  Ge3  2  -0.0  0.07  0.87  1.0
  Ge  Ge4  2  0.39  0.13  0.73  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0

Nb Nb Nb Ge Ge Ge Ge Ge