data_Nb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   6.48
_cell_length_c   24.15
_cell_angle_alpha   89.74
_cell_angle_beta   90.0
_cell_angle_gamma   107.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2O5
_chemical_formula_sum   'Nb2 O5'
_cell_volume   576.97
_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  0.15  0.3  0.11  1.0
  Nb  Nb1  1  0.85  0.7  0.06  1.0
  O  O2  1  0.15  0.29  0.18  1.0
  O  O3  1  0.0  0.0  0.09  1.0
  O  O4  1  0.68  0.37  0.09  1.0
  O  O5  1  0.32  0.63  0.08  1.0
  O  O6  1  0.85  0.71  0.99  1.0

Nb Nb O O O O O 0 2 o o o 0 5 o o o 0 4 - o o 0 4 o o o 0 3 o o o 1 5 o o o 1 5 + o o 1 6 o o - 1 3 + + o 1 4 o o o 
data_Nb2O5
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   12.38
_cell_length_b   3.86
_cell_length_c   24.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Nb2O5
_chemical_formula_sum   'Nb4 O10'
_cell_volume   1153.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.15  0.0  0.48  1.0
  O  O1  4  0.15  0.0  0.4  1.0
  O  O2  4  0.18  0.5  0.5  1.0
  O  O3  2  0.0  0.0  0.5  1.0
