data_Na2V2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71
_cell_length_b   5.44
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   102.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2V2O5
_chemical_formula_sum   'Na8 V8 O20'
_cell_volume   575.99
_cell_formula_units_Z   4
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  0.03  0.37  0.7  1.0
  Na  Na1  1  0.17  0.26  0.38  1.0
  Na  Na2  1  0.21  0.98  0.7  1.0
  Na  Na3  1  0.69  0.79  0.78  1.0
  Na  Na4  1  0.35  0.65  0.38  1.0
  Na  Na5  1  0.83  0.46  0.46  1.0
  Na  Na6  1  0.87  0.18  0.77  1.0
  Na  Na7  1  0.01  0.07  0.45  1.0
  V  V8  1  0.73  0.8  0.33  1.0
  V  V9  1  0.73  0.53  0.11  1.0
  V  V10  1  0.65  0.81  0.97  1.0
  V  V11  1  0.64  0.08  0.75  1.0
  V  V12  1  0.39  0.36  0.41  1.0
  V  V13  1  0.39  0.63  0.19  1.0
  V  V14  1  0.31  0.91  0.04  1.0
  V  V15  1  0.31  0.64  0.83  1.0
  O  O16  1  0.81  0.26  0.34  1.0
  O  O17  1  0.36  0.29  0.97  1.0
  O  O18  1  0.5  0.87  0.46  1.0
  O  O19  1  0.11  1.0  0.33  1.0
  O  O20  1  0.83  0.4  0.12  1.0
  O  O21  1  0.54  0.12  0.95  1.0
  O  O22  1  0.27  0.72  0.75  1.0
  O  O23  1  0.88  0.59  0.62  1.0
  O  O24  1  0.02  0.57  0.11  1.0
  O  O25  1  0.48  0.46  0.42  1.0
  O  O26  1  0.56  0.98  0.74  1.0
  O  O27  1  0.02  0.87  0.04  1.0
  O  O28  1  0.16  0.85  0.53  1.0
  O  O29  1  0.77  0.72  0.4  1.0
  O  O30  1  0.5  0.32  0.2  1.0
  O  O31  1  0.2  0.04  0.03  1.0
  O  O32  1  0.93  0.44  0.83  1.0
  O  O33  1  0.54  0.57  0.7  1.0
  O  O34  1  0.68  0.15  0.19  1.0
  O  O35  1  0.22  0.18  0.81  1.0

data_Na2V2O5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.44
_cell_length_b   8.71
_cell_length_c   12.44
_cell_angle_alpha   102.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2V2O5
_chemical_formula_sum   'Na8 V8 O20'
_cell_volume   575.99
_cell_formula_units_Z   4
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  0.07  0.17  0.2  1.0
  Na  Na1  2  0.26  0.69  0.12  1.0
  Na  Na2  2  0.35  0.49  0.88  1.0
  Na  Na3  2  0.46  0.35  0.2  1.0
  V  V4  2  0.08  0.21  0.75  1.0
  V  V5  2  0.09  0.13  0.39  1.0
  V  V6  2  0.19  0.79  0.47  1.0
  V  V7  2  0.36  0.12  0.17  1.0
  O  O8  2  0.0  0.25  0.83  1.0
  O  O9  2  0.13  0.64  0.96  1.0
  O  O10  2  0.15  0.98  0.88  1.0
  O  O11  2  0.15  0.5  0.47  1.0
  O  O12  2  0.26  0.04  0.16  1.0
  O  O13  2  0.28  0.59  0.75  1.0
  O  O14  2  0.32  0.68  0.45  1.0
  O  O15  2  0.4  0.02  0.38  1.0
  O  O16  2  0.43  0.16  0.61  1.0
  O  O17  2  0.46  0.71  0.24  1.0

Na Na Na Na Na Na Na Na V V V V V V V V O O O O O O O O O O O O O O O O O O O O