data_Na5NbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   9.99
_cell_angle_alpha   98.68
_cell_angle_beta   98.68
_cell_angle_gamma   116.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5NbO5
_chemical_formula_sum   'Na10 Nb2 O10'
_cell_volume   304.2
_cell_formula_units_Z   2
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
  Na  Na0  1  0.92  0.16  0.48  1.0
  Na  Na1  1  0.95  0.6  0.76  1.0
  Na  Na2  1  0.41  0.37  0.39  1.0
  Na  Na3  1  0.87  0.6  0.02  1.0
  Na  Na4  1  0.9  0.16  0.31  1.0
  Na  Na5  1  0.49  0.84  0.26  1.0
  Na  Na6  1  0.52  0.4  0.55  1.0
  Na  Na7  1  0.97  0.63  0.17  1.0
  Na  Na8  1  0.43  0.4  0.8  1.0
  Na  Na9  1  0.46  0.84  0.09  1.0
  Nb  Nb10  1  0.41  0.06  0.39  1.0
  Nb  Nb11  1  0.97  0.94  0.17  1.0
  O  O12  1  0.95  0.91  0.98  1.0
  O  O13  1  0.62  0.25  0.11  1.0
  O  O14  1  0.41  0.98  0.39  1.0
  O  O15  1  0.19  0.25  0.67  1.0
  O  O16  1  0.87  0.91  0.8  1.0
  O  O17  1  0.51  0.09  0.77  1.0
  O  O18  1  0.19  0.75  0.9  1.0
  O  O19  1  0.97  0.02  0.17  1.0
  O  O20  1  0.76  0.75  0.45  1.0
  O  O21  1  0.43  0.09  0.58  1.0

data_Na5NbO5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   9.99
_cell_angle_alpha   98.68
_cell_angle_beta   98.68
_cell_angle_gamma   116.78
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na5NbO5
_chemical_formula_sum   'Na10 Nb2 O10'
_cell_volume   304.2
_cell_formula_units_Z   2
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
  Na  Na0  2  0.22  0.37  0.11  1.0
  Na  Na1  2  0.24  0.4  0.52  1.0
  Na  Na2  2  0.27  0.84  0.81  1.0
  Na  Na3  2  0.29  0.84  0.98  1.0
  Na  Na4  2  0.33  0.4  0.26  1.0
  Nb  Nb5  2  0.22  0.06  0.11  1.0
  O  O6  2  0.0  0.25  0.39  1.0
  O  O7  2  0.22  0.98  0.11  1.0
  O  O8  2  0.24  0.09  0.3  1.0
  O  O9  2  0.32  0.09  0.48  1.0
  O  O10  2  0.43  0.25  0.83  1.0

Na Na Na Na Na Na Na Na Na Na Nb Nb O O O O O O O O O O